smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H]2Sc3cc(OC)ccc3N(CC[NH+](C(C)C)C(C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000000628970 551504805 /nfs/dbraw/zinc/50/48/05/551504805.db2.gz NGLKLRBCBKIBFZ-CLJLJLNGSA-N 1 0 500.661 4.934 50 0 KJAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000000696092 551528021 /nfs/dbraw/zinc/52/80/21/551528021.db2.gz STDAPKGDHURKNT-YDXVBCDDSA-N 1 0 552.521 4.810 50 0 KJAARO CC(C)N(CC(=O)Nc1nc(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1)C(=O)c1ccc(Cl)cc1 ZINC000000699316 551528673 /nfs/dbraw/zinc/52/86/73/551528673.db2.gz PIXWLTJIVIHDRD-UHFFFAOYSA-N 1 0 568.143 4.609 50 0 KJAARO CC(C)(C)c1cc(CCC(=O)NCCN2C(=O)OC3(CC(C)(C)[NH2+]C(C)(C)C3)[C@]2(C)O)cc(C(C)(C)C)c1O ZINC000000709395 551532654 /nfs/dbraw/zinc/53/26/54/551532654.db2.gz UKRUUTLIXVECBW-PMERELPUSA-N 1 0 545.765 4.876 50 0 KJAARO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@H]45)cc3n2)cc1OC ZINC000000719864 551536447 /nfs/dbraw/zinc/53/64/47/551536447.db2.gz KOHCDUZPFFPZTD-YLJYHZDGSA-N 1 0 518.536 4.854 50 0 KJAARO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@H]45)c3n2)cc1OC ZINC000000978070 551591345 /nfs/dbraw/zinc/59/13/45/551591345.db2.gz XRJBVOWVZSJZLM-YLJYHZDGSA-N 1 0 518.536 4.854 50 0 KJAARO O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000000999545 551595413 /nfs/dbraw/zinc/59/54/13/551595413.db2.gz UTDNFSHITUPIRW-JYJNAYRXSA-N 1 0 532.792 4.880 50 0 KJAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001118415 551612513 /nfs/dbraw/zinc/61/25/13/551612513.db2.gz WATQBNCOTPQQEK-QFIPXVFZSA-N 1 0 529.431 4.774 50 0 KJAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001118417 551612521 /nfs/dbraw/zinc/61/25/21/551612521.db2.gz WATQBNCOTPQQEK-JOCHJYFZSA-N 1 0 529.431 4.774 50 0 KJAARO CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N32)cc1OC ZINC000001318672 551640992 /nfs/dbraw/zinc/64/09/92/551640992.db2.gz PQGNYQDJJXBURB-DODOAAEWSA-N 1 0 578.713 4.925 50 0 biogenic KJAARO CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N23)cc1OC ZINC000001318674 551641015 /nfs/dbraw/zinc/64/10/15/551641015.db2.gz PQGNYQDJJXBURB-ZBWWXOROSA-N 1 0 578.713 4.925 50 0 biogenic KJAARO [NH2+]=C(COc1ccc(Cl)cc1)NNS(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000001397385 551661231 /nfs/dbraw/zinc/66/12/31/551661231.db2.gz WBGZAWYKYUIJJX-UHFFFAOYSA-N 1 0 539.388 4.899 50 0 KJAARO C[N@H+](CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)CCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000001413663 551665997 /nfs/dbraw/zinc/66/59/97/551665997.db2.gz UDFGHKFTCWJJEE-JZTLMNBPSA-N 1 0 572.064 4.773 50 0 KJAARO Cn1cc(C2=C(c3cn(C4CC[NH+](Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000001494900 551683021 /nfs/dbraw/zinc/68/30/21/551683021.db2.gz AXRCEOKUDYDWLF-UHFFFAOYSA-N 1 0 515.617 4.932 50 0 investigational KJAARO COc1ccc(N(C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001750708 551692997 /nfs/dbraw/zinc/69/29/97/551692997.db2.gz HXDVGLPEQYGWAO-MUUNZHRXSA-N 1 0 516.663 4.954 50 0 KJAARO COc1ccc(N(C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001750711 551693046 /nfs/dbraw/zinc/69/30/46/551693046.db2.gz HXDVGLPEQYGWAO-NDEPHWFRSA-N 1 0 516.663 4.954 50 0 KJAARO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)NCCC[NH+](C)C)cc1 ZINC000001823666 551709353 /nfs/dbraw/zinc/70/93/53/551709353.db2.gz IFTAUFOEDCOUKF-HAVVHWLPSA-N 1 0 510.432 4.856 50 0 KJAARO COc1ccccc1N(C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001836730 551712641 /nfs/dbraw/zinc/71/26/41/551712641.db2.gz KVEXYKWIDDPDKL-HHHXNRCGSA-N 1 0 516.663 4.954 50 0 KJAARO COc1ccccc1N(C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001836732 551712654 /nfs/dbraw/zinc/71/26/54/551712654.db2.gz KVEXYKWIDDPDKL-MHZLTWQESA-N 1 0 516.663 4.954 50 0 KJAARO COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N32)c(OC)c1 ZINC000002105044 551762854 /nfs/dbraw/zinc/76/28/54/551762854.db2.gz SAHIQQLPRMEPKM-ZQAZVOLISA-N 1 0 564.686 4.535 50 0 biogenic KJAARO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N23)c(OC)c1 ZINC000002105046 551762819 /nfs/dbraw/zinc/76/28/19/551762819.db2.gz SAHIQQLPRMEPKM-RYCFQHDISA-N 1 0 564.686 4.535 50 0 biogenic KJAARO COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N32)c1 ZINC000002105071 551762843 /nfs/dbraw/zinc/76/28/43/551762843.db2.gz ABTJXKKRXKCLMX-NYDCQLBNSA-N 1 0 534.660 4.526 50 0 biogenic KJAARO COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N23)c1 ZINC000002105073 551762828 /nfs/dbraw/zinc/76/28/28/551762828.db2.gz ABTJXKKRXKCLMX-BHDXBOSCSA-N 1 0 534.660 4.526 50 0 biogenic KJAARO CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)CC(=O)N21 ZINC000002108999 551766562 /nfs/dbraw/zinc/76/65/62/551766562.db2.gz SEQYUZRVTACMGK-ZQAZVOLISA-N 1 0 548.687 4.916 50 0 biogenic KJAARO CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)CC(=O)N12 ZINC000002109001 551766577 /nfs/dbraw/zinc/76/65/77/551766577.db2.gz SEQYUZRVTACMGK-RYCFQHDISA-N 1 0 548.687 4.916 50 0 biogenic KJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000002110104 551766918 /nfs/dbraw/zinc/76/69/18/551766918.db2.gz AYLWCNKBMCMEMF-GDLZYMKVSA-N 1 0 500.618 4.882 50 0 biogenic KJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000002110106 551766910 /nfs/dbraw/zinc/76/69/10/551766910.db2.gz AYLWCNKBMCMEMF-LJAQVGFWSA-N 1 0 500.618 4.882 50 0 biogenic KJAARO COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)CC(=O)N21 ZINC000002111219 551767272 /nfs/dbraw/zinc/76/72/72/551767272.db2.gz MEWHADDSCOJICJ-IUDBTDONSA-N 1 0 534.660 4.526 50 0 biogenic KJAARO COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)CC(=O)N12 ZINC000002111221 551767276 /nfs/dbraw/zinc/76/72/76/551767276.db2.gz MEWHADDSCOJICJ-GMCHKSTQSA-N 1 0 534.660 4.526 50 0 biogenic KJAARO Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)CC(=O)N21 ZINC000002111358 551767566 /nfs/dbraw/zinc/76/75/66/551767566.db2.gz CHYVHPACLVGGSC-NYDCQLBNSA-N 1 0 518.661 4.826 50 0 biogenic KJAARO Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)CC(=O)N12 ZINC000002111360 551767530 /nfs/dbraw/zinc/76/75/30/551767530.db2.gz CHYVHPACLVGGSC-BHDXBOSCSA-N 1 0 518.661 4.826 50 0 biogenic KJAARO O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000002113157 551768487 /nfs/dbraw/zinc/76/84/87/551768487.db2.gz PXNBSMOCEURPOE-QCENPCRXSA-N 1 0 504.634 4.517 50 0 biogenic KJAARO O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000002113159 551768502 /nfs/dbraw/zinc/76/85/02/551768502.db2.gz PXNBSMOCEURPOE-IZEXYCQBSA-N 1 0 504.634 4.517 50 0 biogenic KJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000002139730 551774586 /nfs/dbraw/zinc/77/45/86/551774586.db2.gz WMPSEVNCLVTXND-GDLZYMKVSA-N 1 0 500.618 4.882 50 0 biogenic KJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000002139732 551774568 /nfs/dbraw/zinc/77/45/68/551774568.db2.gz WMPSEVNCLVTXND-LJAQVGFWSA-N 1 0 500.618 4.882 50 0 biogenic KJAARO COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC4CC[NH+](Cc5ccccc5)CC4)CC(=O)N32)cc1 ZINC000002148437 551776954 /nfs/dbraw/zinc/77/69/54/551776954.db2.gz ABTJLQWLGXFFDJ-DITALETJSA-N 1 0 548.687 4.774 50 0 biogenic KJAARO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC4CC[NH+](Cc5ccccc5)CC4)CC(=O)N23)cc1 ZINC000002148440 551776913 /nfs/dbraw/zinc/77/69/13/551776913.db2.gz ABTJLQWLGXFFDJ-BZKUTMRRSA-N 1 0 548.687 4.774 50 0 biogenic KJAARO COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N32)cc1OC ZINC000002156531 551779698 /nfs/dbraw/zinc/77/96/98/551779698.db2.gz PNKMNRNCPUVNSN-UVMMSNCQSA-N 1 0 564.686 4.535 50 0 biogenic KJAARO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N23)cc1OC ZINC000002156536 551779750 /nfs/dbraw/zinc/77/97/50/551779750.db2.gz PNKMNRNCPUVNSN-QPQHGXMVSA-N 1 0 564.686 4.535 50 0 biogenic KJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(nc(-c3ccc(OC)c(OC)c3)cc2C(F)(F)F)c1Cl ZINC000002305413 552090356 /nfs/dbraw/zinc/09/03/56/552090356.db2.gz PECMJOZSAYZSGN-UHFFFAOYSA-N 1 0 513.948 4.547 50 0 KJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000002307447 551808822 /nfs/dbraw/zinc/80/88/22/551808822.db2.gz OZCQJMRLUSBSAS-UHFFFAOYSA-N 1 0 504.376 4.701 50 0 KJAARO O=C(OCCC[NH+]1CCCCC1)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000002461631 1066204757 /nfs/dbraw/zinc/20/47/57/1066204757.db2.gz AMKPTBGZVQJWOK-UHFFFAOYSA-N 1 0 511.254 4.867 50 0 KJAARO C[NH+](C)CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000002618857 552137223 /nfs/dbraw/zinc/13/72/23/552137223.db2.gz OBKLARTXYAMGCS-UHFFFAOYSA-N 1 0 558.527 4.965 50 0 KJAARO C[NH+](C)CCCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nc2ccccc2c1=O ZINC000002618871 552137551 /nfs/dbraw/zinc/13/75/51/552137551.db2.gz CSRHJVLIXQLANZ-UHFFFAOYSA-N 1 0 503.653 4.606 50 0 KJAARO O=C(c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002753558 552176840 /nfs/dbraw/zinc/17/68/40/552176840.db2.gz UMLUYGSPMDBPEQ-AWEZNQCLSA-N 1 0 528.760 4.751 50 0 KJAARO O=C(c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002753559 552176844 /nfs/dbraw/zinc/17/68/44/552176844.db2.gz UMLUYGSPMDBPEQ-CQSZACIVSA-N 1 0 528.760 4.751 50 0 KJAARO CC[NH+](CC)CCn1c(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)nc2ccccc21 ZINC000002782596 552188716 /nfs/dbraw/zinc/18/87/16/552188716.db2.gz ZJNCMAMFJIUETF-UHFFFAOYSA-N 1 0 511.508 4.952 50 0 KJAARO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)NCc3ccc(F)cc3Cl)CC23CCCCC3)cc1 ZINC000002943353 552227990 /nfs/dbraw/zinc/22/79/90/552227990.db2.gz GTXFQBHSTBKMJL-UHFFFAOYSA-N 1 0 517.114 4.799 50 0 KJAARO CC[C@H](Sc1nc2ccccc2c2nc(CC[NH+]3CCCCC3)nn21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002968883 552242239 /nfs/dbraw/zinc/24/22/39/552242239.db2.gz XNVUFNRGHFJLRN-QHCPKHFHSA-N 1 0 518.643 4.544 50 0 KJAARO CC[C@@H](Sc1nc2ccccc2c2nc(CC[NH+]3CCCCC3)nn21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002968886 552242223 /nfs/dbraw/zinc/24/22/23/552242223.db2.gz XNVUFNRGHFJLRN-HSZRJFAPSA-N 1 0 518.643 4.544 50 0 KJAARO CCOC(=O)c1cc(CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCCCC2)c2c(c1)COCO2 ZINC000002973562 552245143 /nfs/dbraw/zinc/24/51/43/552245143.db2.gz QZLHCPHNSNUWSG-UHFFFAOYSA-N 1 0 523.655 4.608 50 0 KJAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Oc3ccccc32)C1 ZINC000003035955 552271343 /nfs/dbraw/zinc/27/13/43/552271343.db2.gz YDXRWCZUMZYBSW-VHEBRAQUSA-N 1 0 526.475 4.700 50 0 KJAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000003054739 552279800 /nfs/dbraw/zinc/27/98/00/552279800.db2.gz MZRCABPICPSFPQ-CJLVFECKSA-N 1 0 502.478 4.777 50 0 KJAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[NH+]3CCCCCC3)C2=O)cc1Br ZINC000003057859 552281431 /nfs/dbraw/zinc/28/14/31/552281431.db2.gz SVILQSYFHYTYHM-JJIBRWJFSA-N 1 0 544.515 4.930 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000003061886 552282662 /nfs/dbraw/zinc/28/26/62/552282662.db2.gz WLYIOYWWQLVGCL-UHFFFAOYSA-N 1 0 507.439 4.955 50 0 KJAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003062414 552283164 /nfs/dbraw/zinc/28/31/64/552283164.db2.gz YLMYHBPVUOCIDM-UHFFFAOYSA-N 1 0 538.069 4.549 50 0 KJAARO CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3ccc(OC)c(OC)c3)C2=O)sc2c1CC[N@H+](CC)C2 ZINC000003276636 552334347 /nfs/dbraw/zinc/33/43/47/552334347.db2.gz LASVVYBORPOMMZ-CJLVFECKSA-N 1 0 561.660 4.960 50 0 KJAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1I ZINC000003355040 552368469 /nfs/dbraw/zinc/36/84/69/552368469.db2.gz ANJHBSJVHVGBAT-UHFFFAOYSA-N 1 0 504.199 4.911 50 0 KJAARO Cc1c(NC(=O)c2c(NC(=O)C[N@H+](C)C3CCCCC3)sc3c2CCCC3)c(=O)n(-c2ccccc2)n1C ZINC000003362351 552371759 /nfs/dbraw/zinc/37/17/59/552371759.db2.gz URQNJVPQLTZOIT-UHFFFAOYSA-N 1 0 535.714 4.880 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)NC(=[NH2+])N[C@@H]1c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000003382951 552378428 /nfs/dbraw/zinc/37/84/28/552378428.db2.gz BBPNHOYCEHSKPD-AREMUKBSSA-N 1 0 568.552 4.665 50 0 KJAARO COc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3N3CC[NH+](C)CC3)C2=O)cc1OC ZINC000003419041 552383325 /nfs/dbraw/zinc/38/33/25/552383325.db2.gz BHLNNCXUXPROQQ-NKFKGCMQSA-N 1 0 533.028 4.749 50 0 KJAARO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)ccc1Cl ZINC000003419068 552383303 /nfs/dbraw/zinc/38/33/03/552383303.db2.gz UBPALMRYUZKESG-NRFANRHFSA-N 1 0 500.492 4.837 50 0 KJAARO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)ccc1Cl ZINC000003419071 552383321 /nfs/dbraw/zinc/38/33/21/552383321.db2.gz UBPALMRYUZKESG-OAQYLSRUSA-N 1 0 500.492 4.837 50 0 KJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000003435410 552386342 /nfs/dbraw/zinc/38/63/42/552386342.db2.gz VNISXEZBWXWANO-UHFFFAOYSA-N 1 0 513.063 4.559 50 0 KJAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+]2CCCCCC2)cc1C ZINC000003619933 552393192 /nfs/dbraw/zinc/39/31/92/552393192.db2.gz IVHYONNWORNVGU-AREMUKBSSA-N 1 0 529.479 4.645 50 0 KJAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2CCCCCC2)cc1C ZINC000003619936 552393237 /nfs/dbraw/zinc/39/32/37/552393237.db2.gz IVHYONNWORNVGU-SANMLTNESA-N 1 0 529.479 4.645 50 0 KJAARO O=C(NCCC[NH+]1CCCCCC1)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003619939 552393248 /nfs/dbraw/zinc/39/32/48/552393248.db2.gz VMZULUYECJTTIU-XMMPIXPASA-N 1 0 535.870 4.682 50 0 KJAARO O=C(NCCC[NH+]1CCCCCC1)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003619941 552393145 /nfs/dbraw/zinc/39/31/45/552393145.db2.gz VMZULUYECJTTIU-DEOSSOPVSA-N 1 0 535.870 4.682 50 0 KJAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000003619976 552393449 /nfs/dbraw/zinc/39/34/49/552393449.db2.gz CQVFIZJAOGPEQN-MRDQGFSESA-N 1 0 529.479 4.501 50 0 KJAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)C1 ZINC000003619980 552393514 /nfs/dbraw/zinc/39/35/14/552393514.db2.gz FXNCDJMGUBLBPL-GYCJOSAFSA-N 1 0 535.870 4.538 50 0 KJAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC[C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000003620024 552393517 /nfs/dbraw/zinc/39/35/17/552393517.db2.gz CCTYOYRECCRRRE-XHCCPWGMSA-N 1 0 543.506 4.693 50 0 KJAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC[C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000003620027 552393497 /nfs/dbraw/zinc/39/34/97/552393497.db2.gz CCTYOYRECCRRRE-WINIVTDRSA-N 1 0 543.506 4.693 50 0 KJAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC[C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000003620031 552393470 /nfs/dbraw/zinc/39/34/70/552393470.db2.gz CCTYOYRECCRRRE-UZTOHYMASA-N 1 0 543.506 4.693 50 0 KJAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC[C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000003620032 552393479 /nfs/dbraw/zinc/39/34/79/552393479.db2.gz CCTYOYRECCRRRE-PPHZAIPVSA-N 1 0 543.506 4.693 50 0 KJAARO C[C@@H](CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1)C[NH+]1CCC(C)CC1 ZINC000003620033 552393490 /nfs/dbraw/zinc/39/34/90/552393490.db2.gz CHJKSHOEPUIEDD-GKVSMKOHSA-N 1 0 549.897 4.784 50 0 KJAARO C[C@H](CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1)C[NH+]1CCC(C)CC1 ZINC000003620037 552393502 /nfs/dbraw/zinc/39/35/02/552393502.db2.gz CHJKSHOEPUIEDD-NSYGIPOTSA-N 1 0 549.897 4.784 50 0 KJAARO C[C@@H](CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1)C[NH+]1CCC(C)CC1 ZINC000003620038 552393488 /nfs/dbraw/zinc/39/34/88/552393488.db2.gz CHJKSHOEPUIEDD-SSOJOUAXSA-N 1 0 549.897 4.784 50 0 KJAARO C[C@H](CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1)C[NH+]1CCC(C)CC1 ZINC000003620041 552393504 /nfs/dbraw/zinc/39/35/04/552393504.db2.gz CHJKSHOEPUIEDD-CRICUBBOSA-N 1 0 549.897 4.784 50 0 KJAARO CC[NH+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000003661392 552407043 /nfs/dbraw/zinc/40/70/43/552407043.db2.gz ACZABABCHZPYHY-NSOVKSMOSA-N 1 0 503.618 4.773 50 0 in-vivo KJAARO CC[NH+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000003661393 552407009 /nfs/dbraw/zinc/40/70/09/552407009.db2.gz ACZABABCHZPYHY-IZLXSDGUSA-N 1 0 503.618 4.773 50 0 in-vivo KJAARO CC[NH+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000003661394 552407012 /nfs/dbraw/zinc/40/70/12/552407012.db2.gz ACZABABCHZPYHY-WUFINQPMSA-N 1 0 503.618 4.773 50 0 in-vivo KJAARO CC[NH+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000003661395 552407056 /nfs/dbraw/zinc/40/70/56/552407056.db2.gz ACZABABCHZPYHY-VSGBNLITSA-N 1 0 503.618 4.773 50 0 in-vivo KJAARO C[N@H+](CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000003670325 552410937 /nfs/dbraw/zinc/41/09/37/552410937.db2.gz LZVNYHPTIXIZHQ-SANMLTNESA-N 1 0 513.425 4.829 50 0 KJAARO C[N@H+](CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000003670327 552410852 /nfs/dbraw/zinc/41/08/52/552410852.db2.gz LZVNYHPTIXIZHQ-AREMUKBSSA-N 1 0 513.425 4.829 50 0 KJAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670393 552410945 /nfs/dbraw/zinc/41/09/45/552410945.db2.gz YPJWLQPFPZALAO-MUUNZHRXSA-N 1 0 560.526 4.647 50 0 KJAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670394 552410866 /nfs/dbraw/zinc/41/08/66/552410866.db2.gz YPJWLQPFPZALAO-NDEPHWFRSA-N 1 0 560.526 4.647 50 0 KJAARO C[C@@H](CNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)C[NH+]1CCC(C)CC1 ZINC000003670395 552410859 /nfs/dbraw/zinc/41/08/59/552410859.db2.gz SLKXXAGCWWKDQN-GKVSMKOHSA-N 1 0 505.446 4.675 50 0 KJAARO C[C@H](CNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)C[NH+]1CCC(C)CC1 ZINC000003670396 552410920 /nfs/dbraw/zinc/41/09/20/552410920.db2.gz SLKXXAGCWWKDQN-NSYGIPOTSA-N 1 0 505.446 4.675 50 0 KJAARO C[C@@H](CNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)C[NH+]1CCC(C)CC1 ZINC000003670397 552410872 /nfs/dbraw/zinc/41/08/72/552410872.db2.gz SLKXXAGCWWKDQN-SSOJOUAXSA-N 1 0 505.446 4.675 50 0 KJAARO C[C@H](CNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)C[NH+]1CCC(C)CC1 ZINC000003670398 552410898 /nfs/dbraw/zinc/41/08/98/552410898.db2.gz SLKXXAGCWWKDQN-CRICUBBOSA-N 1 0 505.446 4.675 50 0 KJAARO C[N@H+](CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000003670405 552411191 /nfs/dbraw/zinc/41/11/91/552411191.db2.gz FANADRNBFJXVRO-VWLOTQADSA-N 1 0 505.446 4.961 50 0 KJAARO C[N@H+](CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000003670407 552411206 /nfs/dbraw/zinc/41/12/06/552411206.db2.gz FANADRNBFJXVRO-RUZDIDTESA-N 1 0 505.446 4.961 50 0 KJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670409 552411210 /nfs/dbraw/zinc/41/12/10/552411210.db2.gz WYPUEWBSZXVSLB-LEHBWIKQSA-N 1 0 505.446 4.960 50 0 KJAARO Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003833846 552419605 /nfs/dbraw/zinc/41/96/05/552419605.db2.gz QAGYKUNXZHXKMR-HKWSIXNMSA-N 1 0 567.796 4.748 50 0 fda KJAARO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004177833 552445889 /nfs/dbraw/zinc/44/58/89/552445889.db2.gz XYYOGGVAOCQQSQ-UHFFFAOYSA-N 1 0 548.775 4.561 50 0 KJAARO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004177851 552445887 /nfs/dbraw/zinc/44/58/87/552445887.db2.gz FPKBHOBBBMOBSO-UHFFFAOYSA-N 1 0 548.775 4.850 50 0 KJAARO O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCCCC1 ZINC000004256475 552452963 /nfs/dbraw/zinc/45/29/63/552452963.db2.gz XBSCNVFMRDPHJM-MRXNPFEDSA-N 1 0 560.217 4.851 50 0 KJAARO O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCCCC1 ZINC000004256476 552452961 /nfs/dbraw/zinc/45/29/61/552452961.db2.gz XBSCNVFMRDPHJM-INIZCTEOSA-N 1 0 560.217 4.851 50 0 KJAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCC[NH+]3CCCCCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756974 552475589 /nfs/dbraw/zinc/47/55/89/552475589.db2.gz JWMYQLMMTYEYEF-VAVYLYDRSA-N 1 0 523.674 4.579 50 0 KJAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCC[NH+]3CCCCCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756979 552475640 /nfs/dbraw/zinc/47/56/40/552475640.db2.gz JWMYQLMMTYEYEF-IRPSRAIASA-N 1 0 523.674 4.579 50 0 KJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[NH+]3CCCCCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756985 552475646 /nfs/dbraw/zinc/47/56/46/552475646.db2.gz JWMYQLMMTYEYEF-ABYGYWHVSA-N 1 0 523.674 4.579 50 0 KJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[NH+]3CCCCCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756987 552475609 /nfs/dbraw/zinc/47/56/09/552475609.db2.gz JWMYQLMMTYEYEF-SVEHJYQDSA-N 1 0 523.674 4.579 50 0 KJAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760299 552477478 /nfs/dbraw/zinc/47/74/78/552477478.db2.gz IJJQCKRRWIDZKI-VSGBNLITSA-N 1 0 583.154 4.658 50 0 KJAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000004760301 552477517 /nfs/dbraw/zinc/47/75/17/552477517.db2.gz IJJQCKRRWIDZKI-IZLXSDGUSA-N 1 0 583.154 4.658 50 0 KJAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760302 552477522 /nfs/dbraw/zinc/47/75/22/552477522.db2.gz IJJQCKRRWIDZKI-WUFINQPMSA-N 1 0 583.154 4.658 50 0 KJAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000004760303 552477501 /nfs/dbraw/zinc/47/75/01/552477501.db2.gz IJJQCKRRWIDZKI-NSOVKSMOSA-N 1 0 583.154 4.658 50 0 KJAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004760730 552477720 /nfs/dbraw/zinc/47/77/20/552477720.db2.gz UUXQUTJGJPJNOP-LOYHVIPDSA-N 1 0 595.115 4.735 50 0 KJAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004760735 552477642 /nfs/dbraw/zinc/47/76/42/552477642.db2.gz UUXQUTJGJPJNOP-IHLOFXLRSA-N 1 0 595.115 4.735 50 0 KJAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004760740 552477698 /nfs/dbraw/zinc/47/76/98/552477698.db2.gz UUXQUTJGJPJNOP-XZWHSSHBSA-N 1 0 595.115 4.735 50 0 KJAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004760743 552477666 /nfs/dbraw/zinc/47/76/66/552477666.db2.gz UUXQUTJGJPJNOP-KYJUHHDHSA-N 1 0 595.115 4.735 50 0 KJAARO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1 ZINC000004761770 552477932 /nfs/dbraw/zinc/47/79/32/552477932.db2.gz VAXRAYXZQPHITG-HHHXNRCGSA-N 1 0 562.139 4.883 50 0 KJAARO O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1 ZINC000004761774 552477988 /nfs/dbraw/zinc/47/79/88/552477988.db2.gz VAXRAYXZQPHITG-MHZLTWQESA-N 1 0 562.139 4.883 50 0 KJAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCC[NH+]3CCN(c4ccccc4)CC3)C2=S)cc1Cl ZINC000004761809 552477928 /nfs/dbraw/zinc/47/79/28/552477928.db2.gz HRHKESSHBJZJFI-MHZLTWQESA-N 1 0 592.165 4.892 50 0 KJAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCC[NH+]3CCN(c4ccccc4)CC3)C2=S)cc1Cl ZINC000004761824 552477919 /nfs/dbraw/zinc/47/79/19/552477919.db2.gz HRHKESSHBJZJFI-HHHXNRCGSA-N 1 0 592.165 4.892 50 0 KJAARO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCC[NH+]3CCN(c4ccccc4)CC3)C2=S)cc1 ZINC000004761827 552477913 /nfs/dbraw/zinc/47/79/13/552477913.db2.gz FDSLJFFNZWNHFB-NDEPHWFRSA-N 1 0 541.721 4.538 50 0 KJAARO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCC[NH+]3CCN(c4ccccc4)CC3)C2=S)cc1 ZINC000004761829 552477994 /nfs/dbraw/zinc/47/79/94/552477994.db2.gz FDSLJFFNZWNHFB-MUUNZHRXSA-N 1 0 541.721 4.538 50 0 KJAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004761902 552478246 /nfs/dbraw/zinc/47/82/46/552478246.db2.gz FXCOYNPGUZPEOI-PMERELPUSA-N 1 0 619.763 4.776 50 0 KJAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004761905 552478211 /nfs/dbraw/zinc/47/82/11/552478211.db2.gz FXCOYNPGUZPEOI-SSEXGKCCSA-N 1 0 619.763 4.776 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761908 552478288 /nfs/dbraw/zinc/47/82/88/552478288.db2.gz LVBYQPZETKOLLS-LJAQVGFWSA-N 1 0 589.737 4.686 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761912 552478314 /nfs/dbraw/zinc/47/83/14/552478314.db2.gz LVBYQPZETKOLLS-GDLZYMKVSA-N 1 0 589.737 4.686 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761915 552478301 /nfs/dbraw/zinc/47/83/01/552478301.db2.gz KGRKKFNGZBDYDY-MUUNZHRXSA-N 1 0 593.700 4.517 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761917 552478346 /nfs/dbraw/zinc/47/83/46/552478346.db2.gz KGRKKFNGZBDYDY-NDEPHWFRSA-N 1 0 593.700 4.517 50 0 KJAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004761929 552478319 /nfs/dbraw/zinc/47/83/19/552478319.db2.gz UDZOWIARJTUPMC-LJAQVGFWSA-N 1 0 607.727 4.907 50 0 KJAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004761931 552478262 /nfs/dbraw/zinc/47/82/62/552478262.db2.gz UDZOWIARJTUPMC-GDLZYMKVSA-N 1 0 607.727 4.907 50 0 KJAARO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004761934 552478372 /nfs/dbraw/zinc/47/83/72/552478372.db2.gz LRNFWQRTAWNNFE-NDEPHWFRSA-N 1 0 577.701 4.816 50 0 KJAARO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004761939 552478361 /nfs/dbraw/zinc/47/83/61/552478361.db2.gz LRNFWQRTAWNNFE-MUUNZHRXSA-N 1 0 577.701 4.816 50 0 KJAARO O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000004761942 552478277 /nfs/dbraw/zinc/47/82/77/552478277.db2.gz QFUCZKBRTJNGFK-HHHXNRCGSA-N 1 0 581.664 4.647 50 0 KJAARO O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000004761945 552478342 /nfs/dbraw/zinc/47/83/42/552478342.db2.gz QFUCZKBRTJNGFK-MHZLTWQESA-N 1 0 581.664 4.647 50 0 KJAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCN(c4ccccc4)CC3)C2=S)cc1 ZINC000004761968 552478228 /nfs/dbraw/zinc/47/82/28/552478228.db2.gz JIKHDSCPYVPNFK-PMERELPUSA-N 1 0 601.773 4.637 50 0 KJAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCN(c4ccccc4)CC3)C2=S)cc1 ZINC000004761974 552478333 /nfs/dbraw/zinc/47/83/33/552478333.db2.gz JIKHDSCPYVPNFK-SSEXGKCCSA-N 1 0 601.773 4.637 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004761977 552478483 /nfs/dbraw/zinc/47/84/83/552478483.db2.gz XTULFFWDVSAHAH-LJAQVGFWSA-N 1 0 571.747 4.547 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004761981 552478515 /nfs/dbraw/zinc/47/85/15/552478515.db2.gz XTULFFWDVSAHAH-GDLZYMKVSA-N 1 0 571.747 4.547 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004761992 552478604 /nfs/dbraw/zinc/47/86/04/552478604.db2.gz QQJTWOQCZMODRA-MUUNZHRXSA-N 1 0 592.165 4.892 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004761996 552478575 /nfs/dbraw/zinc/47/85/75/552478575.db2.gz QQJTWOQCZMODRA-NDEPHWFRSA-N 1 0 592.165 4.892 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762005 552478624 /nfs/dbraw/zinc/47/86/24/552478624.db2.gz XISNAVHHJSSHGD-MUUNZHRXSA-N 1 0 622.191 4.900 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762008 552478567 /nfs/dbraw/zinc/47/85/67/552478567.db2.gz XISNAVHHJSSHGD-NDEPHWFRSA-N 1 0 622.191 4.900 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762021 552478559 /nfs/dbraw/zinc/47/85/59/552478559.db2.gz HGCWMOPAVGXQHH-MUUNZHRXSA-N 1 0 592.165 4.892 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762024 552478617 /nfs/dbraw/zinc/47/86/17/552478617.db2.gz HGCWMOPAVGXQHH-NDEPHWFRSA-N 1 0 592.165 4.892 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762026 552478554 /nfs/dbraw/zinc/47/85/54/552478554.db2.gz FPBANKIEVBEPCG-GDLZYMKVSA-N 1 0 603.814 4.960 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762031 552478637 /nfs/dbraw/zinc/47/86/37/552478637.db2.gz FPBANKIEVBEPCG-LJAQVGFWSA-N 1 0 603.814 4.960 50 0 KJAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762041 552478593 /nfs/dbraw/zinc/47/85/93/552478593.db2.gz UYDHPIZVZSCRTP-SSEXGKCCSA-N 1 0 585.774 4.937 50 0 KJAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762043 552478548 /nfs/dbraw/zinc/47/85/48/552478548.db2.gz UYDHPIZVZSCRTP-PMERELPUSA-N 1 0 585.774 4.937 50 0 KJAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762045 552478521 /nfs/dbraw/zinc/47/85/21/552478521.db2.gz AGVGDGUYMFOMKV-GDLZYMKVSA-N 1 0 589.737 4.768 50 0 KJAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762049 552478580 /nfs/dbraw/zinc/47/85/80/552478580.db2.gz AGVGDGUYMFOMKV-LJAQVGFWSA-N 1 0 589.737 4.768 50 0 KJAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762066 552478494 /nfs/dbraw/zinc/47/84/94/552478494.db2.gz HZGGAKZUAVENAW-SSEXGKCCSA-N 1 0 601.773 4.637 50 0 KJAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762069 552478647 /nfs/dbraw/zinc/47/86/47/552478647.db2.gz HZGGAKZUAVENAW-PMERELPUSA-N 1 0 601.773 4.637 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762130 552478762 /nfs/dbraw/zinc/47/87/62/552478762.db2.gz SYRXKPWAYADGML-SSEXGKCCSA-N 1 0 613.784 4.715 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762134 552478907 /nfs/dbraw/zinc/47/89/07/552478907.db2.gz SYRXKPWAYADGML-PMERELPUSA-N 1 0 613.784 4.715 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762137 552478807 /nfs/dbraw/zinc/47/88/07/552478807.db2.gz MVXAFMNEQLRXGN-GDLZYMKVSA-N 1 0 617.747 4.546 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762141 552478841 /nfs/dbraw/zinc/47/88/41/552478841.db2.gz MVXAFMNEQLRXGN-LJAQVGFWSA-N 1 0 617.747 4.546 50 0 KJAARO COc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)CC[NH+](C)C)c2ccccc2CC3)cc(OC)c1OC ZINC000005221401 552494705 /nfs/dbraw/zinc/49/47/05/552494705.db2.gz YTKCEXKGQFVUGH-UHFFFAOYSA-N 1 0 503.599 4.680 50 0 KJAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431520 553023422 /nfs/dbraw/zinc/02/34/22/553023422.db2.gz MLASZEUJFPJEAY-VGSCBBJJSA-N 1 0 506.687 4.986 50 0 biogenic KJAARO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431522 553023454 /nfs/dbraw/zinc/02/34/54/553023454.db2.gz MLASZEUJFPJEAY-CBFLWWMCSA-N 1 0 506.687 4.986 50 0 KJAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431523 553023417 /nfs/dbraw/zinc/02/34/17/553023417.db2.gz MLASZEUJFPJEAY-DAHKTCFSSA-N 1 0 506.687 4.986 50 0 KJAARO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431524 553023433 /nfs/dbraw/zinc/02/34/33/553023433.db2.gz MLASZEUJFPJEAY-HAUPEQAHSA-N 1 0 506.687 4.986 50 0 KJAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1cccc(Cn2cc(Br)cn2)c1 ZINC000008431830 553024223 /nfs/dbraw/zinc/02/42/23/553024223.db2.gz OCRZPWKCVHSAKI-UHFFFAOYSA-N 1 0 507.436 4.782 50 0 KJAARO O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000008444781 553051642 /nfs/dbraw/zinc/05/16/42/553051642.db2.gz UTDNFSHITUPIRW-OWCLPIDISA-N 1 0 532.792 4.880 50 0 KJAARO O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000008444783 553051684 /nfs/dbraw/zinc/05/16/84/553051684.db2.gz UTDNFSHITUPIRW-PMPSAXMXSA-N 1 0 532.792 4.880 50 0 KJAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccc(C)cc2)c1CSC(N)=[NH2+] ZINC000008453853 553067098 /nfs/dbraw/zinc/06/70/98/553067098.db2.gz KMQZJSWHVLEQPP-UHFFFAOYSA-N 1 0 504.406 4.930 50 0 aggregator KJAARO O=c1c2c3ccc(Br)c(OC[C@H](O)C[NH2+]C4CCCCC4)c3sc2nc2n1CCCCC2 ZINC000008453883 553067120 /nfs/dbraw/zinc/06/71/20/553067120.db2.gz UFECAQZQZOEMHD-MRXNPFEDSA-N 1 0 520.493 4.762 50 0 KJAARO O=c1c2c3ccc(Br)c(OC[C@@H](O)C[NH2+]C4CCCCC4)c3sc2nc2n1CCCCC2 ZINC000008453884 553067117 /nfs/dbraw/zinc/06/71/17/553067117.db2.gz UFECAQZQZOEMHD-INIZCTEOSA-N 1 0 520.493 4.762 50 0 KJAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccc(OC)cc2)c1CSC(N)=[NH2+] ZINC000008453900 553067107 /nfs/dbraw/zinc/06/71/07/553067107.db2.gz PPKVFGKXFOWPSC-UHFFFAOYSA-N 1 0 520.405 4.630 50 0 KJAARO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[NH+](C5C6CC7CC(C6)CC5C7)CC4)c3n2)cc1 ZINC000008454550 553069236 /nfs/dbraw/zinc/06/92/36/553069236.db2.gz NBFXLNKWDSGANU-UHFFFAOYSA-N 1 0 521.612 4.925 50 0 KJAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000008583100 553078560 /nfs/dbraw/zinc/07/85/60/553078560.db2.gz YVWSNXWMSRBEAU-KRWDZBQOSA-N 1 0 547.743 4.757 50 0 KJAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000008583101 553078630 /nfs/dbraw/zinc/07/86/30/553078630.db2.gz YVWSNXWMSRBEAU-QGZVFWFLSA-N 1 0 547.743 4.757 50 0 KJAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008591840 553082837 /nfs/dbraw/zinc/08/28/37/553082837.db2.gz ISAVYVFDBWTSEF-UHFFFAOYSA-N 1 0 521.040 4.706 50 0 KJAARO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2-n2cccc2)cc1 ZINC000008592110 553083618 /nfs/dbraw/zinc/08/36/18/553083618.db2.gz NIGXVFVKCYKGPU-UHFFFAOYSA-N 1 0 503.050 4.567 50 0 KJAARO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008592174 553083542 /nfs/dbraw/zinc/08/35/42/553083542.db2.gz IHRXGKZQYQTNPS-UHFFFAOYSA-N 1 0 517.077 4.875 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000008593337 553085346 /nfs/dbraw/zinc/08/53/46/553085346.db2.gz ZUINZQWBHREJKX-UHFFFAOYSA-N 1 0 576.672 4.793 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1 ZINC000008593356 553085597 /nfs/dbraw/zinc/08/55/97/553085597.db2.gz KIXNPYDZUSPTKM-UHFFFAOYSA-N 1 0 558.682 4.654 50 0 KJAARO Cc1ccc(Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)c2=O)cc1 ZINC000008593359 553085501 /nfs/dbraw/zinc/08/55/01/553085501.db2.gz HGNJXZWYJQKIKR-UHFFFAOYSA-N 1 0 572.709 4.963 50 0 KJAARO Cc1cccc(Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)c2=O)c1 ZINC000008593365 553085531 /nfs/dbraw/zinc/08/55/31/553085531.db2.gz SXARTAIVYZOEJW-UHFFFAOYSA-N 1 0 572.709 4.963 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000008595873 553089448 /nfs/dbraw/zinc/08/94/48/553089448.db2.gz HTJDMNPQQKJLRS-UHFFFAOYSA-N 1 0 551.647 4.937 50 0 KJAARO CCn1cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000008596799 553091172 /nfs/dbraw/zinc/09/11/72/553091172.db2.gz UGJUNHGQKWPMFW-UHFFFAOYSA-N 1 0 560.805 4.709 50 0 KJAARO CCCC[NH+](CCCC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000008596803 553091186 /nfs/dbraw/zinc/09/11/86/553091186.db2.gz YZMBCNQLJUPYCO-UHFFFAOYSA-N 1 0 546.778 4.607 50 0 KJAARO CCn1cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000008597092 553091921 /nfs/dbraw/zinc/09/19/21/553091921.db2.gz QEPBBFQNCLGYRO-UHFFFAOYSA-N 1 0 580.795 4.502 50 0 KJAARO COc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCCCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597668 553093825 /nfs/dbraw/zinc/09/38/25/553093825.db2.gz JREQXOOKEHCWCO-UHFFFAOYSA-N 1 0 525.694 4.601 50 0 KJAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008597822 553094050 /nfs/dbraw/zinc/09/40/50/553094050.db2.gz MUFLNTOMTHKLPV-OAQYLSRUSA-N 1 0 549.668 4.671 50 0 KJAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008597828 553094068 /nfs/dbraw/zinc/09/40/68/553094068.db2.gz MUFLNTOMTHKLPV-NRFANRHFSA-N 1 0 549.668 4.671 50 0 KJAARO O[C@@H](CN1CCN(c2nc3ccc(Cl)cc3s2)CC1)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000008616573 553102493 /nfs/dbraw/zinc/10/24/93/553102493.db2.gz HMRQJNICZSIWNW-LJQANCHMSA-N 1 0 589.515 4.712 50 0 KJAARO O[C@H](CN1CCN(c2nc3ccc(Cl)cc3s2)CC1)C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000008616574 553102436 /nfs/dbraw/zinc/10/24/36/553102436.db2.gz HMRQJNICZSIWNW-IBGZPJMESA-N 1 0 589.515 4.712 50 0 KJAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008682846 553112514 /nfs/dbraw/zinc/11/25/14/553112514.db2.gz RNQFIRFPRISHQG-UHFFFAOYSA-N 1 0 574.438 4.696 50 0 KJAARO COc1ccc(C2(C[NH2+]C[C@H](O)c3ccc(OCc4ccccc4)c(C(N)=O)c3)CCCC2)cc1OC ZINC000008739980 553131626 /nfs/dbraw/zinc/13/16/26/553131626.db2.gz GDBNAVHQJKDQGK-VWLOTQADSA-N 1 0 504.627 4.517 50 0 biogenic KJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCc3ccc(OC)c(OC)c3)c(=O)cc21 ZINC000008740052 553131571 /nfs/dbraw/zinc/13/15/71/553131571.db2.gz VSSOVXOOLYIGMQ-QFIPXVFZSA-N 1 0 520.626 4.618 50 0 biogenic KJAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000008741322 553132763 /nfs/dbraw/zinc/13/27/63/553132763.db2.gz WFBDYFRSXNAVRL-UHFFFAOYSA-N 1 0 527.463 4.875 50 0 KJAARO COc1cc2c(c3oc(=O)c(CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)c(C)c13)CCC(C)(C)O2 ZINC000008765415 553138117 /nfs/dbraw/zinc/13/81/17/553138117.db2.gz YGYZPDUFBPMTEK-UHFFFAOYSA-N 1 0 504.627 4.537 50 0 biogenic KJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3cc(OC)cc(OC)c3)c(=O)cc21 ZINC000008766481 553138620 /nfs/dbraw/zinc/13/86/20/553138620.db2.gz RXMPWBKTUWGCMI-QHCPKHFHSA-N 1 0 506.599 4.576 50 0 biogenic KJAARO C[N@H+](CCN1C(=O)S/C(=C\c2ccccc2)C1=O)CCN1C(=O)S/C(=C\c2ccnc3ccccc23)C1=O ZINC000008766749 553139106 /nfs/dbraw/zinc/13/91/06/553139106.db2.gz CGXYZVWOQUFUBI-BOYKQRMESA-N 1 0 544.658 4.939 50 0 KJAARO COc1ccc(Br)cc1CN1C(=O)c2ccccc2[C@H]1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008812197 553149634 /nfs/dbraw/zinc/14/96/34/553149634.db2.gz NTKCGXOOCPGPNY-CEYNDMKZSA-N 1 0 528.491 4.639 50 0 KJAARO CCCC[N@H+](CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1 ZINC000008813289 553150817 /nfs/dbraw/zinc/15/08/17/553150817.db2.gz RAJNIBQDFFYEPC-UHFFFAOYSA-N 1 0 507.700 4.896 50 0 KJAARO Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000008813296 553150888 /nfs/dbraw/zinc/15/08/88/553150888.db2.gz KGHFWCMCDKEYQB-UHFFFAOYSA-N 1 0 519.711 4.548 50 0 KJAARO Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NCCC[NH+](CC(C)C)CC(C)C)CC2)c(C)c1 ZINC000008813381 553150869 /nfs/dbraw/zinc/15/08/69/553150869.db2.gz OZUAMAOWVCKDQU-UHFFFAOYSA-N 1 0 507.785 4.817 50 0 KJAARO Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NCC[N@H+](Cc3ccccc3)C(C)C)CC2)c(C)c1 ZINC000008813398 553150893 /nfs/dbraw/zinc/15/08/93/553150893.db2.gz QLNZLBRFZWOYBZ-UHFFFAOYSA-N 1 0 513.748 4.723 50 0 KJAARO COc1ccc([C@@H]2Sc3cc(OC)ccc3N(CC[NH+](C(C)C)C(C)C)C(=O)[C@H]2OC(C)=O)cc1 ZINC000008830211 553157954 /nfs/dbraw/zinc/15/79/54/553157954.db2.gz NGLKLRBCBKIBFZ-UIOOFZCWSA-N 1 0 500.661 4.934 50 0 KJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008834879 553161241 /nfs/dbraw/zinc/16/12/41/553161241.db2.gz HTFBOWBXBQDPAJ-HSZRJFAPSA-N 1 0 515.006 4.749 50 0 KJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008834880 553161281 /nfs/dbraw/zinc/16/12/81/553161281.db2.gz HTFBOWBXBQDPAJ-QHCPKHFHSA-N 1 0 515.006 4.749 50 0 KJAARO O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)ccc1Cl ZINC000008856590 553167583 /nfs/dbraw/zinc/16/75/83/553167583.db2.gz MYCLNKGJIVQOAH-UHFFFAOYSA-N 1 0 514.091 4.867 50 0 KJAARO CNc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000008857507 553168259 /nfs/dbraw/zinc/16/82/59/553168259.db2.gz OYQRWYDAQLVXAL-UHFFFAOYSA-N 1 0 520.028 4.916 50 0 KJAARO CNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000008857508 553168327 /nfs/dbraw/zinc/16/83/27/553168327.db2.gz IHEDSNPQMSCTSI-UHFFFAOYSA-N 1 0 503.573 4.646 50 0 KJAARO CN(C)c1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000008857510 553168313 /nfs/dbraw/zinc/16/83/13/553168313.db2.gz QLOHRUYOJYRBKN-UHFFFAOYSA-N 1 0 534.055 4.940 50 0 KJAARO COc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)NCCC[NH+](C)C)cc1 ZINC000008858211 553168823 /nfs/dbraw/zinc/16/88/23/553168823.db2.gz GXNFKYAMLWTDBB-QJOMJCCJSA-N 1 0 515.532 4.813 50 0 KJAARO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)cc3n2)cc1OC ZINC000008868648 553170848 /nfs/dbraw/zinc/17/08/48/553170848.db2.gz KOHCDUZPFFPZTD-FXAWDEMLSA-N 1 0 518.536 4.854 50 0 KJAARO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c3n2)cc1OC ZINC000008868838 553171030 /nfs/dbraw/zinc/17/10/30/553171030.db2.gz XRJBVOWVZSJZLM-FXAWDEMLSA-N 1 0 518.536 4.854 50 0 KJAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000008892211 553176480 /nfs/dbraw/zinc/17/64/80/553176480.db2.gz USOOSUCQAHQJJY-AFGJWPEXSA-N 1 0 501.586 4.770 50 0 KJAARO CCOc1cc2sc(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)nc2cc1Br ZINC000008911685 553184164 /nfs/dbraw/zinc/18/41/64/553184164.db2.gz XXMSCCQNLOSZHZ-UHFFFAOYSA-N 1 0 509.514 4.666 50 0 KJAARO Cc1cc2sc(N3CCC(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)CC3)nc2c(C)c1 ZINC000008911763 553184478 /nfs/dbraw/zinc/18/44/78/553184478.db2.gz HDQPWVMEHHSPRQ-UHFFFAOYSA-N 1 0 509.695 4.597 50 0 KJAARO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000008912132 553185317 /nfs/dbraw/zinc/18/53/17/553185317.db2.gz JHNRKOUIFHRXII-UHFFFAOYSA-N 1 0 507.059 4.875 50 0 KJAARO CC[NH+](CC)CCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1 ZINC000008912930 553185308 /nfs/dbraw/zinc/18/53/08/553185308.db2.gz IEPZNCSVXZVAPV-UHFFFAOYSA-N 1 0 503.672 4.852 50 0 KJAARO COc1ccc(Cn2c(SCc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)nc3cccnc32)cc1 ZINC000008913758 553185589 /nfs/dbraw/zinc/18/55/89/553185589.db2.gz REYANOGJBRQWRF-UHFFFAOYSA-N 1 0 501.656 4.606 50 0 KJAARO COc1ccc(C2(C[NH2+]C[C@@H](O)c3ccc(OCc4ccccc4)c(C(N)=O)c3)CCCC2)cc1OC ZINC000008919900 553188953 /nfs/dbraw/zinc/18/89/53/553188953.db2.gz GDBNAVHQJKDQGK-RUZDIDTESA-N 1 0 504.627 4.517 50 0 biogenic KJAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000008922854 553190203 /nfs/dbraw/zinc/19/02/03/553190203.db2.gz PPGOIHFQEJNFNF-DEOSSOPVSA-N 1 0 521.595 4.900 50 0 KJAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000008922860 553190307 /nfs/dbraw/zinc/19/03/07/553190307.db2.gz PPGOIHFQEJNFNF-XMMPIXPASA-N 1 0 521.595 4.900 50 0 KJAARO CN(C)c1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000008925974 553190869 /nfs/dbraw/zinc/19/08/69/553190869.db2.gz LLBQHPHJUKTQIA-UHFFFAOYSA-N 1 0 517.600 4.671 50 0 KJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc2)N3)C1 ZINC000008928025 553192352 /nfs/dbraw/zinc/19/23/52/553192352.db2.gz QXNFGLXJVZEDND-DEOSSOPVSA-N 1 0 523.611 4.800 50 0 KJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc2)N3)C1 ZINC000008928027 553192422 /nfs/dbraw/zinc/19/24/22/553192422.db2.gz QXNFGLXJVZEDND-XMMPIXPASA-N 1 0 523.611 4.800 50 0 KJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c2)N3)C1 ZINC000008928028 553192410 /nfs/dbraw/zinc/19/24/10/553192410.db2.gz KXUJQXAURFLQAG-DEOSSOPVSA-N 1 0 523.611 4.800 50 0 KJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c2)N3)C1 ZINC000008928030 553192369 /nfs/dbraw/zinc/19/23/69/553192369.db2.gz KXUJQXAURFLQAG-XMMPIXPASA-N 1 0 523.611 4.800 50 0 KJAARO Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NCCC[NH+](C)C)cc1 ZINC000009122101 553212035 /nfs/dbraw/zinc/21/20/35/553212035.db2.gz IFTAUFOEDCOUKF-QJOMJCCJSA-N 1 0 510.432 4.856 50 0 KJAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)COc5ccc(Cl)cc5)ccc4n3C)CC2)cc1 ZINC000009124538 553212897 /nfs/dbraw/zinc/21/28/97/553212897.db2.gz AJGVJZJETNEJRQ-UHFFFAOYSA-N 1 0 518.061 4.917 50 0 KJAARO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)cc2)CC1 ZINC000009211108 553221149 /nfs/dbraw/zinc/22/11/49/553221149.db2.gz QBFNKIYREQLRSW-HSZRJFAPSA-N 1 0 501.679 4.640 50 0 KJAARO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)cc2)CC1 ZINC000009211109 553221120 /nfs/dbraw/zinc/22/11/20/553221120.db2.gz QBFNKIYREQLRSW-QHCPKHFHSA-N 1 0 501.679 4.640 50 0 KJAARO COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NCC[NH+]2CCCC2)c1 ZINC000009225224 553221879 /nfs/dbraw/zinc/22/18/79/553221879.db2.gz BAQNKGHZHFNVCU-PMERELPUSA-N 1 0 508.622 4.601 50 0 KJAARO COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)NCC[NH+]2CCCC2)c1 ZINC000009225227 553221891 /nfs/dbraw/zinc/22/18/91/553221891.db2.gz BAQNKGHZHFNVCU-SSEXGKCCSA-N 1 0 508.622 4.601 50 0 KJAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[NH+]3CCCCC3)cnn2-c2ccc(F)cc2)CC1 ZINC000009227757 553222458 /nfs/dbraw/zinc/22/24/58/553222458.db2.gz BZVHMLWWMYAFQG-UHFFFAOYSA-N 1 0 513.658 4.732 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccccc2Cl)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227758 553222438 /nfs/dbraw/zinc/22/24/38/553222438.db2.gz XMDRAXONTYBNFF-HXUWFJFHSA-N 1 0 516.086 4.854 50 0 KJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2Cl)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227761 553222423 /nfs/dbraw/zinc/22/24/23/553222423.db2.gz XMDRAXONTYBNFF-FQEVSTJZSA-N 1 0 516.086 4.854 50 0 KJAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCCCC3)cnn2-c2ccccc2Cl)CC1 ZINC000009227782 553222344 /nfs/dbraw/zinc/22/23/44/553222344.db2.gz JNIDOHIUCHZNGQ-UHFFFAOYSA-N 1 0 516.086 4.856 50 0 KJAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCCCC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000009227821 553222434 /nfs/dbraw/zinc/22/24/34/553222434.db2.gz UERNPGFFGXNFRL-UHFFFAOYSA-N 1 0 516.086 4.856 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227823 553222451 /nfs/dbraw/zinc/22/24/51/553222451.db2.gz SCNHBKCFGVXOGO-JOCHJYFZSA-N 1 0 516.086 4.854 50 0 KJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227824 553222389 /nfs/dbraw/zinc/22/23/89/553222389.db2.gz SCNHBKCFGVXOGO-QFIPXVFZSA-N 1 0 516.086 4.854 50 0 KJAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCCCC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000009227832 553222436 /nfs/dbraw/zinc/22/24/36/553222436.db2.gz CRUPBGCMCHPETR-UHFFFAOYSA-N 1 0 516.086 4.856 50 0 KJAARO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCCCCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000009227848 553222363 /nfs/dbraw/zinc/22/23/63/553222363.db2.gz UKIDWPXHGVRQTF-UHFFFAOYSA-N 1 0 509.695 4.901 50 0 KJAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)cnn2-c2ccccc2)CC1 ZINC000009227858 553222554 /nfs/dbraw/zinc/22/25/54/553222554.db2.gz WBIZURUBRWUCGB-QFIPXVFZSA-N 1 0 521.706 4.981 50 0 KJAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)cnn2-c2ccccc2)CC1 ZINC000009227859 553222597 /nfs/dbraw/zinc/22/25/97/553222597.db2.gz WBIZURUBRWUCGB-JOCHJYFZSA-N 1 0 521.706 4.981 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc(C)c(C)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227895 553222588 /nfs/dbraw/zinc/22/25/88/553222588.db2.gz UCKYWEZSUVOBFH-XMMPIXPASA-N 1 0 509.695 4.818 50 0 KJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc(C)c(C)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227896 553222549 /nfs/dbraw/zinc/22/25/49/553222549.db2.gz UCKYWEZSUVOBFH-DEOSSOPVSA-N 1 0 509.695 4.818 50 0 KJAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[NH+]3CCCCC3)cnn2-c2ccc(F)cc2F)CC1 ZINC000009228035 553222922 /nfs/dbraw/zinc/22/29/22/553222922.db2.gz KJGYUNDVSSTFIF-UHFFFAOYSA-N 1 0 531.648 4.871 50 0 KJAARO Brc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)c1 ZINC000009228479 553223258 /nfs/dbraw/zinc/22/32/58/553223258.db2.gz GCEIJMMSCAXNAA-UHFFFAOYSA-N 1 0 509.477 4.708 50 0 KJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2cccc(OC)c2)CC1 ZINC000009251273 553227739 /nfs/dbraw/zinc/22/77/39/553227739.db2.gz FFCATRHJWLLVHM-UHFFFAOYSA-N 1 0 507.631 4.586 50 0 KJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2)CC1 ZINC000009251274 553227783 /nfs/dbraw/zinc/22/77/83/553227783.db2.gz GFXVDZRXPXHTOP-UHFFFAOYSA-N 1 0 507.631 4.722 50 0 KJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)CC1 ZINC000009251276 553227764 /nfs/dbraw/zinc/22/77/64/553227764.db2.gz JMWXAEHWGSVRLK-UHFFFAOYSA-N 1 0 511.594 4.552 50 0 KJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)CCc2ccc(OC)cc2)CC1 ZINC000009251277 553227720 /nfs/dbraw/zinc/22/77/20/553227720.db2.gz UKKQVPKTSURFPI-UHFFFAOYSA-N 1 0 521.658 4.976 50 0 KJAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009272270 553231714 /nfs/dbraw/zinc/23/17/14/553231714.db2.gz UISRIDZTXICOOT-UHFFFAOYSA-N 1 0 506.500 4.653 50 0 KJAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009282044 553233870 /nfs/dbraw/zinc/23/38/70/553233870.db2.gz KLDXOGRUNFLDLK-UHFFFAOYSA-N 1 0 518.536 4.523 50 0 KJAARO CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C1CC[NH+](Cc2ccccc2)CC1)C3 ZINC000009305859 553236821 /nfs/dbraw/zinc/23/68/21/553236821.db2.gz LMLJQJZSIDVVCX-UHFFFAOYSA-N 1 0 504.627 4.722 50 0 KJAARO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=S)NC(=O)C[NH2+]C1CCCCCC1 ZINC000009346028 553244293 /nfs/dbraw/zinc/24/42/93/553244293.db2.gz PQDFHPPGOMMRAB-UHFFFAOYSA-N 1 0 519.689 4.734 50 0 KJAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009375461 553251326 /nfs/dbraw/zinc/25/13/26/553251326.db2.gz RIDOLRBYLJMQMV-UHFFFAOYSA-N 1 0 508.928 4.778 50 0 KJAARO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000009391494 553254080 /nfs/dbraw/zinc/25/40/80/553254080.db2.gz NAKFMUIDZWTFDZ-UHFFFAOYSA-N 1 0 535.732 4.757 50 0 KJAARO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000009391496 553254370 /nfs/dbraw/zinc/25/43/70/553254370.db2.gz BSVOIYXBXDTIOY-UHFFFAOYSA-N 1 0 535.732 4.757 50 0 KJAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCC[C@H]3C)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009391500 553254403 /nfs/dbraw/zinc/25/44/03/553254403.db2.gz VDOVVHHTMOTTRX-MRXNPFEDSA-N 1 0 533.716 4.510 50 0 KJAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009391501 553254373 /nfs/dbraw/zinc/25/43/73/553254373.db2.gz VDOVVHHTMOTTRX-INIZCTEOSA-N 1 0 533.716 4.510 50 0 KJAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009391507 553254380 /nfs/dbraw/zinc/25/43/80/553254380.db2.gz LWFMGSOISNZODR-UHFFFAOYSA-N 1 0 533.716 4.511 50 0 KJAARO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000009391509 553254366 /nfs/dbraw/zinc/25/43/66/553254366.db2.gz BVOUWQKNIMBPSU-UHFFFAOYSA-N 1 0 535.732 4.757 50 0 KJAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009391511 553254364 /nfs/dbraw/zinc/25/43/64/553254364.db2.gz YLKYJDDKAZQSPR-UHFFFAOYSA-N 1 0 533.716 4.511 50 0 KJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)CC2)c1 ZINC000009407048 553256233 /nfs/dbraw/zinc/25/62/33/553256233.db2.gz KPIDBPKKCBXGRU-VSGBNLITSA-N 1 0 516.711 4.604 50 0 KJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)CC2)c1 ZINC000009407049 553256230 /nfs/dbraw/zinc/25/62/30/553256230.db2.gz KPIDBPKKCBXGRU-WUFINQPMSA-N 1 0 516.711 4.604 50 0 KJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)CC2)c1 ZINC000009407050 553256227 /nfs/dbraw/zinc/25/62/27/553256227.db2.gz KPIDBPKKCBXGRU-IZLXSDGUSA-N 1 0 516.711 4.604 50 0 KJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)CC2)c1 ZINC000009407051 553256240 /nfs/dbraw/zinc/25/62/40/553256240.db2.gz KPIDBPKKCBXGRU-NSOVKSMOSA-N 1 0 516.711 4.604 50 0 KJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)C[C@@H]2C)c1 ZINC000009407052 553256218 /nfs/dbraw/zinc/25/62/18/553256218.db2.gz AEJGEXGPOFVQGY-XDAJTCOGSA-N 1 0 516.711 4.684 50 0 KJAARO COc1ccc(-n2cc(C(=O)NCCC[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)c3ccccc3c2=O)cc1 ZINC000009407240 553256916 /nfs/dbraw/zinc/25/69/16/553256916.db2.gz XOOQGUSBSCKXBM-DEOSSOPVSA-N 1 0 524.665 4.638 50 0 KJAARO COc1cccc(-n2cc(C(=O)NCCC[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)c3ccccc3c2=O)c1 ZINC000009407260 553256937 /nfs/dbraw/zinc/25/69/37/553256937.db2.gz SNWNFXZFEQFTQF-DEOSSOPVSA-N 1 0 524.665 4.638 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 ZINC000009432417 553262656 /nfs/dbraw/zinc/26/26/56/553262656.db2.gz MZLZWLUOUXYYCX-JWQCQUIFSA-N 1 0 505.640 4.796 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 ZINC000009432418 553262686 /nfs/dbraw/zinc/26/26/86/553262686.db2.gz MZLZWLUOUXYYCX-LOSJGSFVSA-N 1 0 505.640 4.796 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1 ZINC000009432419 553262681 /nfs/dbraw/zinc/26/26/81/553262681.db2.gz MZLZWLUOUXYYCX-RPBOFIJWSA-N 1 0 505.640 4.796 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1 ZINC000009432420 553262692 /nfs/dbraw/zinc/26/26/92/553262692.db2.gz MZLZWLUOUXYYCX-DQEYMECFSA-N 1 0 505.640 4.796 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009432629 553262647 /nfs/dbraw/zinc/26/26/47/553262647.db2.gz KLEZJCGVMVVXLN-KAYWLYCHSA-N 1 0 505.684 4.704 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009432630 553262673 /nfs/dbraw/zinc/26/26/73/553262673.db2.gz KLEZJCGVMVVXLN-RRPNLBNLSA-N 1 0 505.684 4.704 50 0 KJAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432877 553262955 /nfs/dbraw/zinc/26/29/55/553262955.db2.gz IWUICKOJODGZGX-KAYWLYCHSA-N 1 0 521.683 4.829 50 0 KJAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432878 553262908 /nfs/dbraw/zinc/26/29/08/553262908.db2.gz IWUICKOJODGZGX-SXOMAYOGSA-N 1 0 521.683 4.829 50 0 KJAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432879 553262928 /nfs/dbraw/zinc/26/29/28/553262928.db2.gz IWUICKOJODGZGX-RRPNLBNLSA-N 1 0 521.683 4.829 50 0 KJAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432880 553262977 /nfs/dbraw/zinc/26/29/77/553262977.db2.gz IWUICKOJODGZGX-SVBPBHIXSA-N 1 0 521.683 4.829 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3C(=O)N1CC2 ZINC000009560489 553280514 /nfs/dbraw/zinc/28/05/14/553280514.db2.gz WICAHNYGYMPPCB-FQLXRVMXSA-N 1 0 519.686 4.703 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3C(=O)N1CC2 ZINC000009560490 553280493 /nfs/dbraw/zinc/28/04/93/553280493.db2.gz WICAHNYGYMPPCB-WDYNHAJCSA-N 1 0 519.686 4.703 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3C(=O)N1CC2 ZINC000009560491 553280536 /nfs/dbraw/zinc/28/05/36/553280536.db2.gz WICAHNYGYMPPCB-URLMMPGGSA-N 1 0 519.686 4.703 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000009560492 553280539 /nfs/dbraw/zinc/28/05/39/553280539.db2.gz ZKPVZVAJXZRSBR-FQLXRVMXSA-N 1 0 519.686 4.559 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000009560493 553280500 /nfs/dbraw/zinc/28/05/00/553280500.db2.gz ZKPVZVAJXZRSBR-VMPREFPWSA-N 1 0 519.686 4.559 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OCC)c(OCC)cc3[C@@H]12 ZINC000009560496 553280490 /nfs/dbraw/zinc/28/04/90/553280490.db2.gz QRHCEEKZLFJCMD-NSOVKSMOSA-N 1 0 507.675 4.559 50 0 KJAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000009561217 553281006 /nfs/dbraw/zinc/28/10/06/553281006.db2.gz BKYSHBBHGXKQLL-UHFFFAOYSA-N 1 0 508.837 4.563 50 0 KJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3nnc(Cc4ccc(Cl)cc4Cl)o3)CC2)c1 ZINC000009561218 553280988 /nfs/dbraw/zinc/28/09/88/553280988.db2.gz 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Cc1ccc(CNC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCC[NH+]2CCCC2)cc1 ZINC000009665121 553293486 /nfs/dbraw/zinc/29/34/86/553293486.db2.gz CJSRHKKCGJFMKE-UHFFFAOYSA-N 1 0 506.697 4.814 50 0 KJAARO COc1cccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCC[NH+]2CCCC2)c1 ZINC000009665128 553293490 /nfs/dbraw/zinc/29/34/90/553293490.db2.gz PIQIJNQJNIWWAK-UHFFFAOYSA-N 1 0 508.669 4.837 50 0 KJAARO COc1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCC[NH+]2CCCC2)cc1 ZINC000009665135 553293478 /nfs/dbraw/zinc/29/34/78/553293478.db2.gz GRURKXLYBKDZTH-UHFFFAOYSA-N 1 0 508.669 4.837 50 0 KJAARO CCOc1ccc(CN2c3cc(C(=O)NC(=O)C4CC[NH2+]CC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000009678486 553295665 /nfs/dbraw/zinc/29/56/65/553295665.db2.gz SERDJPHCPSSSIG-UHFFFAOYSA-N 1 0 515.635 4.653 50 0 KJAARO CC[N@H+](CCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C)Cc1ccccc1 ZINC000009682038 553297150 /nfs/dbraw/zinc/29/71/50/553297150.db2.gz SQEAEPQCZXKNTO-UHFFFAOYSA-N 1 0 507.638 4.828 50 0 KJAARO COc1ccc(-n2nc(C(=O)NCCC[NH+]3CCCCCC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000009693664 553298666 /nfs/dbraw/zinc/29/86/66/553298666.db2.gz PKVJWEZXVXITEV-UHFFFAOYSA-N 1 0 522.049 4.535 50 0 KJAARO CCCC[N@H+](CC)CCCNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2c1c1ccccc1n2C ZINC000009693710 553298842 /nfs/dbraw/zinc/29/88/42/553298842.db2.gz IAKRDENOEHXNPJ-UHFFFAOYSA-N 1 0 524.065 4.781 50 0 KJAARO CCN(CCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1)c1ccccc1 ZINC000009693912 553299056 /nfs/dbraw/zinc/29/90/56/553299056.db2.gz WJUMVQIZRSXADS-UHFFFAOYSA-N 1 0 506.647 4.522 50 0 KJAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000009731784 553302655 /nfs/dbraw/zinc/30/26/55/553302655.db2.gz MZQBUDYXZWLSJU-OAQYLSRUSA-N 1 0 526.431 4.581 50 0 KJAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000009731786 553302647 /nfs/dbraw/zinc/30/26/47/553302647.db2.gz MZQBUDYXZWLSJU-NRFANRHFSA-N 1 0 526.431 4.581 50 0 KJAARO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc12 ZINC000009776890 553306242 /nfs/dbraw/zinc/30/62/42/553306242.db2.gz GSGIRWFBSCQFRC-UHFFFAOYSA-N 1 0 513.686 4.817 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cc1 ZINC000009776966 553306443 /nfs/dbraw/zinc/30/64/43/553306443.db2.gz ZIRHKHIZZFWYBB-VSGBNLITSA-N 1 0 511.622 4.661 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cc1 ZINC000009776968 553306481 /nfs/dbraw/zinc/30/64/81/553306481.db2.gz ZIRHKHIZZFWYBB-WUFINQPMSA-N 1 0 511.622 4.661 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cc1 ZINC000009776969 553306463 /nfs/dbraw/zinc/30/64/63/553306463.db2.gz ZIRHKHIZZFWYBB-IZLXSDGUSA-N 1 0 511.622 4.661 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cc1 ZINC000009776970 553306485 /nfs/dbraw/zinc/30/64/85/553306485.db2.gz ZIRHKHIZZFWYBB-NSOVKSMOSA-N 1 0 511.622 4.661 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000009835495 553310479 /nfs/dbraw/zinc/31/04/79/553310479.db2.gz GUOUPJRUUYCXRS-FQLXRVMXSA-N 1 0 517.645 4.781 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000009835498 553310483 /nfs/dbraw/zinc/31/04/83/553310483.db2.gz GUOUPJRUUYCXRS-URLMMPGGSA-N 1 0 517.645 4.781 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009836053 553310496 /nfs/dbraw/zinc/31/04/96/553310496.db2.gz IYMILNLWPOOXJA-SUHSUELASA-N 1 0 515.629 4.916 50 0 KJAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009836123 553310494 /nfs/dbraw/zinc/31/04/94/553310494.db2.gz HYJYQIYLEZMWCV-FQLXRVMXSA-N 1 0 515.629 4.917 50 0 KJAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009836125 553310492 /nfs/dbraw/zinc/31/04/92/553310492.db2.gz HYJYQIYLEZMWCV-WDYNHAJCSA-N 1 0 515.629 4.917 50 0 KJAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009836126 553310527 /nfs/dbraw/zinc/31/05/27/553310527.db2.gz HYJYQIYLEZMWCV-URLMMPGGSA-N 1 0 515.629 4.917 50 0 KJAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009836128 553310481 /nfs/dbraw/zinc/31/04/81/553310481.db2.gz HYJYQIYLEZMWCV-VMPREFPWSA-N 1 0 515.629 4.917 50 0 KJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009836174 553310508 /nfs/dbraw/zinc/31/05/08/553310508.db2.gz WYPUEWBSZXVSLB-RYUVBPIJSA-N 1 0 505.446 4.960 50 0 KJAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000009836216 553310788 /nfs/dbraw/zinc/31/07/88/553310788.db2.gz CQVFIZJAOGPEQN-QLXKLKPCSA-N 1 0 529.479 4.501 50 0 KJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc(CSc4nc5cc[nH]cc-5n4)cc3)CC2)c1 ZINC000009847969 553312466 /nfs/dbraw/zinc/31/24/66/553312466.db2.gz WZUQDPRRGAUULG-UHFFFAOYSA-N 1 0 514.699 4.809 50 0 KJAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)CC1 ZINC000009908014 553316541 /nfs/dbraw/zinc/31/65/41/553316541.db2.gz PKYISUYCAPMJQQ-UHFFFAOYSA-N 1 0 511.578 4.641 50 0 KJAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc3ccccc3c(Br)c2OC)CC1 ZINC000009908018 553316499 /nfs/dbraw/zinc/31/64/99/553316499.db2.gz PGVWCICALLKABY-UHFFFAOYSA-N 1 0 526.431 4.792 50 0 KJAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936846 553318755 /nfs/dbraw/zinc/31/87/55/553318755.db2.gz YSQMPLTZNMSLPG-KAYWLYCHSA-N 1 0 525.715 4.719 50 0 KJAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936849 553318758 /nfs/dbraw/zinc/31/87/58/553318758.db2.gz YSQMPLTZNMSLPG-SXOMAYOGSA-N 1 0 525.715 4.719 50 0 KJAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCCCCC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936857 553318741 /nfs/dbraw/zinc/31/87/41/553318741.db2.gz YSQMPLTZNMSLPG-RRPNLBNLSA-N 1 0 525.715 4.719 50 0 KJAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCCCCC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936863 553318747 /nfs/dbraw/zinc/31/87/47/553318747.db2.gz YSQMPLTZNMSLPG-SVBPBHIXSA-N 1 0 525.715 4.719 50 0 KJAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936890 553318775 /nfs/dbraw/zinc/31/87/75/553318775.db2.gz WGGRPTGUNCWWHC-CLJLJLNGSA-N 1 0 513.704 4.574 50 0 KJAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936896 553318783 /nfs/dbraw/zinc/31/87/83/553318783.db2.gz WGGRPTGUNCWWHC-IZZNHLLZSA-N 1 0 513.704 4.574 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936900 553318767 /nfs/dbraw/zinc/31/87/67/553318767.db2.gz BFAKLMNXHBNNPM-CLJLJLNGSA-N 1 0 513.704 4.574 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936904 553318752 /nfs/dbraw/zinc/31/87/52/553318752.db2.gz BFAKLMNXHBNNPM-IZZNHLLZSA-N 1 0 513.704 4.574 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000009936910 553318779 /nfs/dbraw/zinc/31/87/79/553318779.db2.gz BFAKLMNXHBNNPM-FTJBHMTQSA-N 1 0 513.704 4.574 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000009936916 553318753 /nfs/dbraw/zinc/31/87/53/553318753.db2.gz BFAKLMNXHBNNPM-UIOOFZCWSA-N 1 0 513.704 4.574 50 0 KJAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936921 553318789 /nfs/dbraw/zinc/31/87/89/553318789.db2.gz RHQOGLQGMCEODS-KAYWLYCHSA-N 1 0 527.731 4.965 50 0 KJAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936925 553318756 /nfs/dbraw/zinc/31/87/56/553318756.db2.gz RHQOGLQGMCEODS-RRPNLBNLSA-N 1 0 527.731 4.965 50 0 KJAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000009936931 553318743 /nfs/dbraw/zinc/31/87/43/553318743.db2.gz RHQOGLQGMCEODS-SXOMAYOGSA-N 1 0 527.731 4.965 50 0 KJAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000009936935 553318761 /nfs/dbraw/zinc/31/87/61/553318761.db2.gz RHQOGLQGMCEODS-SVBPBHIXSA-N 1 0 527.731 4.965 50 0 KJAARO CC(C)(C)c1cc(CCC(=O)NCCN2C(=O)OC3(CC(C)(C)[NH2+]C(C)(C)C3)[C@@]2(C)O)cc(C(C)(C)C)c1O ZINC000009969675 553322250 /nfs/dbraw/zinc/32/22/50/553322250.db2.gz UKRUUTLIXVECBW-SSEXGKCCSA-N 1 0 545.765 4.876 50 0 KJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CC2)c1 ZINC000009971944 553322916 /nfs/dbraw/zinc/32/29/16/553322916.db2.gz QPAWPZGHGBTWCD-UHFFFAOYSA-N 1 0 500.668 4.962 50 0 KJAARO COc1ccc(-n2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3c2=O)cc1 ZINC000010013213 553325835 /nfs/dbraw/zinc/32/58/35/553325835.db2.gz MUASNSKVTQWRFP-UHFFFAOYSA-N 1 0 531.056 4.595 50 0 KJAARO C[NH+](C)CCCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000010068207 553327824 /nfs/dbraw/zinc/32/78/24/553327824.db2.gz GSOPIOZLBKLOPF-UHFFFAOYSA-N 1 0 501.608 4.897 50 0 KJAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CCCCC2)CC1 ZINC000011785347 553342615 /nfs/dbraw/zinc/34/26/15/553342615.db2.gz YCXYHKUIPGPNJK-WUFINQPMSA-N 1 0 504.719 4.501 50 0 KJAARO COc1cc(C(=O)N(Cc2ccc(OCC[NH+]3CCCCC3)cc2)Cc2ccccn2)cc(OC)c1OC ZINC000011841466 1066492343 /nfs/dbraw/zinc/49/23/43/1066492343.db2.gz VXUJAXKQTIZYSB-UHFFFAOYSA-N 1 0 519.642 4.815 50 0 KJAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000011847313 553343731 /nfs/dbraw/zinc/34/37/31/553343731.db2.gz MLASZEUJFPJEAY-VZZNCHCQSA-N 1 0 506.687 4.986 50 0 biogenic KJAARO COc1ccc(OC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C(C)(C)C)c1 ZINC000011847507 553343794 /nfs/dbraw/zinc/34/37/94/553343794.db2.gz CXWOTFGJCKJHPO-QHCPKHFHSA-N 1 0 530.665 4.894 50 0 KJAARO COc1ccc(OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C(C)(C)C)c1 ZINC000011847508 553343777 /nfs/dbraw/zinc/34/37/77/553343777.db2.gz CXWOTFGJCKJHPO-HSZRJFAPSA-N 1 0 530.665 4.894 50 0 KJAARO Cn1cnnc1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2OCC(=O)Nc2ccc3c(c2)COC3)CC1 ZINC000011868722 1066492312 /nfs/dbraw/zinc/49/23/12/1066492312.db2.gz HAZOQXQDYRICNP-UHFFFAOYSA-N 1 0 523.637 4.909 50 0 KJAARO O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)[nH]c1=O ZINC000011871939 1066492354 /nfs/dbraw/zinc/49/23/54/1066492354.db2.gz GZQCUYRZPFGWMP-UHFFFAOYSA-N 1 0 535.069 4.565 50 0 KJAARO COc1ccc(S[C@H]2C[C@@H](C(=O)N3CCC([NH+]4CCC(O)CC4)CC3)N(Cc3cccc(Cl)c3)C2)cc1 ZINC000011872415 1066492244 /nfs/dbraw/zinc/49/22/44/1066492244.db2.gz CBFZZTXGQOIOET-NSOVKSMOSA-N 1 0 544.161 4.532 50 0 KJAARO O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O ZINC000011881056 1066492283 /nfs/dbraw/zinc/49/22/83/1066492283.db2.gz RAHCYOLVFHYGQP-UHFFFAOYSA-N 1 0 529.603 4.576 50 0 KJAARO C[N@H+](CCc1ccccc1)Cc1cccc(OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000011882026 1066492833 /nfs/dbraw/zinc/49/28/33/1066492833.db2.gz GVDKSSYSZNFFAS-UHFFFAOYSA-N 1 0 513.682 4.881 50 0 KJAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000011910477 553348656 /nfs/dbraw/zinc/34/86/56/553348656.db2.gz PNZYCSVBZUKQLO-UHFFFAOYSA-N 1 0 500.668 4.765 50 0 KJAARO COCCCN(C(=O)c1ccc(-c2cccc(Cl)c2)nc1N1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000011910933 553348724 /nfs/dbraw/zinc/34/87/24/553348724.db2.gz FSZNHDIJAFACPU-OYRHEFFESA-N 1 0 515.098 4.589 50 0 KJAARO COc1ccccc1-c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(N(C)C[C@@H]2COCCO2)n1 ZINC000011976803 1066492975 /nfs/dbraw/zinc/49/29/75/1066492975.db2.gz WQCALVVKNYNFMZ-XMMPIXPASA-N 1 0 536.717 4.527 50 0 KJAARO COc1ccccc1-c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(N(C)C[C@H]2COCCO2)n1 ZINC000011976811 1066493078 /nfs/dbraw/zinc/49/30/78/1066493078.db2.gz WQCALVVKNYNFMZ-DEOSSOPVSA-N 1 0 536.717 4.527 50 0 KJAARO O=C1c2cccc(N3CCN(C4CC[NH+](CCc5ccccc5)CC4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000011998242 553349946 /nfs/dbraw/zinc/34/99/46/553349946.db2.gz FUIUQIXQCNVVIH-UHFFFAOYSA-N 1 0 543.111 4.965 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2ccccc2F)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012040050 553350481 /nfs/dbraw/zinc/35/04/81/553350481.db2.gz BJTZXDKSXWHIBX-SQJMNOBHSA-N 1 0 507.572 4.810 50 0 KJAARO CCc1c(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000012052180 553350715 /nfs/dbraw/zinc/35/07/15/553350715.db2.gz HKWFEIUCNBDGFL-UHFFFAOYSA-N 1 0 503.687 4.503 50 0 KJAARO CC(=O)c1ccc(N2CCN(c3nc(-c4cc(C)cs4)ccc3C(=O)N(C)C3CC[NH+](C)CC3)CC2)cc1 ZINC000012099232 553351220 /nfs/dbraw/zinc/35/12/20/553351220.db2.gz INEHYWYFJYSJSA-UHFFFAOYSA-N 1 0 531.726 4.814 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2cccc(OC)c2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012132731 553351692 /nfs/dbraw/zinc/35/16/92/553351692.db2.gz UMTVKSCYFQQTIC-BKMJKUGQSA-N 1 0 519.608 4.680 50 0 KJAARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2c1 ZINC000012140960 553352260 /nfs/dbraw/zinc/35/22/60/553352260.db2.gz CIPSTEBNOXFJRN-UHFFFAOYSA-N 1 0 514.717 4.632 50 0 KJAARO O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000012151184 553352446 /nfs/dbraw/zinc/35/24/46/553352446.db2.gz RUENGVMXJFOOLC-AMGIVPHBSA-N 1 0 515.658 4.786 50 0 KJAARO C[C@H](c1ccco1)[N@H+](C)Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000012157138 1066493772 /nfs/dbraw/zinc/49/37/72/1066493772.db2.gz DFKMIISUQRXMAN-OAQYLSRUSA-N 1 0 502.615 4.686 50 0 KJAARO O=c1c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 ZINC000012161467 1066493643 /nfs/dbraw/zinc/49/36/43/1066493643.db2.gz AICUWNLTHVPMFL-UHFFFAOYSA-N 1 0 525.624 4.940 50 0 KJAARO Cc1nonc1CN(C)Cc1cc(-c2ccc(F)cc2)ccc1OCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000012162349 553353233 /nfs/dbraw/zinc/35/32/33/553353233.db2.gz BJROUJUDCHJFIL-UHFFFAOYSA-N 1 0 535.664 4.672 50 0 KJAARO Cc1cc(C)n(CC(=O)N2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@@H]3CCC[N@@H+](C)C3)C2)n1 ZINC000012190148 553353600 /nfs/dbraw/zinc/35/36/00/553353600.db2.gz IWEVFBLXRCTLQN-JOCHJYFZSA-N 1 0 523.077 4.962 50 0 KJAARO Cc1cc(C)n(CC(=O)N2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@H]3CCC[N@@H+](C)C3)C2)n1 ZINC000012190149 553353528 /nfs/dbraw/zinc/35/35/28/553353528.db2.gz IWEVFBLXRCTLQN-QFIPXVFZSA-N 1 0 523.077 4.962 50 0 KJAARO CN(C)C(=O)CCC(=O)N1CCCC[C@H]1CCOc1cccc(C[N@H+](C)Cc2cccc3cccnc32)c1 ZINC000012194331 553353910 /nfs/dbraw/zinc/35/39/10/553353910.db2.gz JSKOMZUBQUNLBV-MHZLTWQESA-N 1 0 516.686 4.885 50 0 KJAARO CN(C)C(=O)CCC(=O)N1CCCC[C@@H]1CCOc1cccc(C[N@H+](C)Cc2cccc3cccnc32)c1 ZINC000012194335 553354082 /nfs/dbraw/zinc/35/40/82/553354082.db2.gz JSKOMZUBQUNLBV-HHHXNRCGSA-N 1 0 516.686 4.885 50 0 KJAARO COc1cccc(N2CC[NH+](Cc3cc4ccc(SC)cc4n(C[C@@H]4COc5ccccc5O4)c3=O)CC2)c1 ZINC000012209639 553354045 /nfs/dbraw/zinc/35/40/45/553354045.db2.gz JFDQZGKYKIYKSR-AREMUKBSSA-N 1 0 543.689 4.894 50 0 KJAARO COc1cccc(N2CC[NH+](Cc3cc4ccc(SC)cc4n(C[C@H]4COc5ccccc5O4)c3=O)CC2)c1 ZINC000012209647 553354404 /nfs/dbraw/zinc/35/44/04/553354404.db2.gz JFDQZGKYKIYKSR-SANMLTNESA-N 1 0 543.689 4.894 50 0 KJAARO CC1(C)C[C@@H](C(=O)N2CCN(CCOc3ccc(C[NH+]4CCC(Cc5ccccc5)CC4)cc3)CC2)CCO1 ZINC000012217727 553354395 /nfs/dbraw/zinc/35/43/95/553354395.db2.gz VXZOUASWIWOVNN-PMERELPUSA-N 1 0 533.757 4.870 50 0 KJAARO CC1(C)C[C@H](C(=O)N2CCN(CCOc3ccc(C[NH+]4CCC(Cc5ccccc5)CC4)cc3)CC2)CCO1 ZINC000012217728 553354332 /nfs/dbraw/zinc/35/43/32/553354332.db2.gz VXZOUASWIWOVNN-SSEXGKCCSA-N 1 0 533.757 4.870 50 0 KJAARO COc1cc2nc(N(C)C)c(CN(CC[NH+](C)C)C(=O)c3cccc4c(C)c(C)[nH]c43)cc2c(OC)c1OC ZINC000012245192 553355056 /nfs/dbraw/zinc/35/50/56/553355056.db2.gz JIHCQXBQXNFKDZ-UHFFFAOYSA-N 1 0 533.673 4.629 50 0 KJAARO COC(=O)CC[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000012245427 553354981 /nfs/dbraw/zinc/35/49/81/553354981.db2.gz WFQNGBRCFASANC-XTEPFMGCSA-N 1 0 501.671 4.814 50 0 KJAARO COc1cc(C)c(C[N@@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCc2cccnc2)cc1C ZINC000012246060 553355095 /nfs/dbraw/zinc/35/50/95/553355095.db2.gz SOOREOWCZVFCCL-RDGATRHJSA-N 1 0 501.656 4.635 50 0 KJAARO O=C1c2cccc(N3CC[NH+](C4Cc5ccccc5C4)CC3)c2C(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000012247171 1066494718 /nfs/dbraw/zinc/49/47/18/1066494718.db2.gz HYRNDYSXPJJWKW-UHFFFAOYSA-N 1 0 520.658 4.896 50 0 KJAARO COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CC[NH+](C)C)C(=O)CCn3ccc(C)n3)cc12 ZINC000012247352 553355191 /nfs/dbraw/zinc/35/51/91/553355191.db2.gz HLRPALZCEAZBSQ-UHFFFAOYSA-N 1 0 515.658 4.713 50 0 KJAARO CSc1ccc2cc(C[NH2+]CCn3nc(C)cc3C)c(=O)n(Cc3cc4c(cc3Cl)OCO4)c2c1 ZINC000012279771 553356060 /nfs/dbraw/zinc/35/60/60/553356060.db2.gz UYZPCKFISXOQHB-UHFFFAOYSA-N 1 0 511.047 4.757 50 0 KJAARO COc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2C[NH+]2CCC(c3nncn3C)CC2)c1 ZINC000012283232 553356307 /nfs/dbraw/zinc/35/63/07/553356307.db2.gz NHZIOGNOKLNHBJ-UHFFFAOYSA-N 1 0 511.626 4.888 50 0 KJAARO O=C(NCc1ccccc1Cl)c1ccc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)[nH]c1=O ZINC000012325874 1066495189 /nfs/dbraw/zinc/49/51/89/1066495189.db2.gz PYCIMWGBCVWPLK-NJIBMQBXSA-N 1 0 506.046 4.611 50 0 KJAARO O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)[nH]c1=O ZINC000012332424 1066495122 /nfs/dbraw/zinc/49/51/22/1066495122.db2.gz HIQFJJLKNVURNG-RECKVYTFSA-N 1 0 515.698 4.726 50 0 KJAARO O=C(c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374891 553361006 /nfs/dbraw/zinc/36/10/06/553361006.db2.gz GJWFSOKIKWWODA-BSTIKWANSA-N 1 0 503.569 4.863 50 0 KJAARO O=C(c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374892 553360991 /nfs/dbraw/zinc/36/09/91/553360991.db2.gz GJWFSOKIKWWODA-QATQJLEMSA-N 1 0 503.569 4.863 50 0 KJAARO O=C(c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374893 553360984 /nfs/dbraw/zinc/36/09/84/553360984.db2.gz GJWFSOKIKWWODA-KEEJEUKHSA-N 1 0 503.569 4.863 50 0 KJAARO O=C(c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374894 553361000 /nfs/dbraw/zinc/36/10/00/553361000.db2.gz GJWFSOKIKWWODA-WWEGIGGDSA-N 1 0 503.569 4.863 50 0 KJAARO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374899 553361056 /nfs/dbraw/zinc/36/10/56/553361056.db2.gz FCDAFKFCRCAGPB-NKIICXCBSA-N 1 0 503.569 4.863 50 0 KJAARO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374900 553361014 /nfs/dbraw/zinc/36/10/14/553361014.db2.gz FCDAFKFCRCAGPB-CEEOKERVSA-N 1 0 503.569 4.863 50 0 KJAARO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374901 553361063 /nfs/dbraw/zinc/36/10/63/553361063.db2.gz FCDAFKFCRCAGPB-JAQMEJCISA-N 1 0 503.569 4.863 50 0 KJAARO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374902 553360938 /nfs/dbraw/zinc/36/09/38/553360938.db2.gz FCDAFKFCRCAGPB-SDCRINRVSA-N 1 0 503.569 4.863 50 0 KJAARO O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374925 553361030 /nfs/dbraw/zinc/36/10/30/553361030.db2.gz YNCQVEWSZCJPCW-UHFFFAOYSA-N 1 0 506.594 4.961 50 0 KJAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000012375221 553360978 /nfs/dbraw/zinc/36/09/78/553360978.db2.gz BHJLXMGVZGASSY-QFBILLFUSA-N 1 0 502.493 4.565 50 0 KJAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000012375222 553361077 /nfs/dbraw/zinc/36/10/77/553361077.db2.gz BHJLXMGVZGASSY-VQIMIIECSA-N 1 0 502.493 4.565 50 0 KJAARO CCCn1c2ccccc2c2nnc(SCC(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)nc21 ZINC000012411483 553363325 /nfs/dbraw/zinc/36/33/25/553363325.db2.gz QFAVLZIICFFIJZ-UHFFFAOYSA-N 1 0 504.704 4.595 50 0 KJAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012453627 553366877 /nfs/dbraw/zinc/36/68/77/553366877.db2.gz CFHJTZWHDAWFRR-RPWUZVMVSA-N 1 0 507.622 4.613 50 0 KJAARO Cn1cnnc1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2OCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012508441 553382396 /nfs/dbraw/zinc/38/23/96/553382396.db2.gz KWUOGCWLPPKPOM-UHFFFAOYSA-N 1 0 525.609 4.608 50 0 KJAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000012509403 553382362 /nfs/dbraw/zinc/38/23/62/553382362.db2.gz ZVEVYCJMOXUDPE-XUZZJYLKSA-N 1 0 520.592 4.925 50 0 KJAARO CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3cc(OC)ccc3[nH]1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000012520278 553382570 /nfs/dbraw/zinc/38/25/70/553382570.db2.gz LXGZNNABXCXEKR-UHFFFAOYSA-N 1 0 502.662 4.700 50 0 KJAARO COc1ccc([C@@H](CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)[NH+]2CCCC2)cc1 ZINC000012526139 553384101 /nfs/dbraw/zinc/38/41/01/553384101.db2.gz HADBTEMVDIMDLW-AREMUKBSSA-N 1 0 511.619 4.510 50 0 KJAARO COc1ccc([C@H](CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)[NH+]2CCCC2)cc1 ZINC000012526140 553384063 /nfs/dbraw/zinc/38/40/63/553384063.db2.gz HADBTEMVDIMDLW-SANMLTNESA-N 1 0 511.619 4.510 50 0 KJAARO COc1ccccc1[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)[NH+]1CCCC1 ZINC000012526161 553384118 /nfs/dbraw/zinc/38/41/18/553384118.db2.gz LBOBGCGANVWQJB-RUZDIDTESA-N 1 0 511.619 4.510 50 0 KJAARO COc1ccccc1[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)[NH+]1CCCC1 ZINC000012526162 553384092 /nfs/dbraw/zinc/38/40/92/553384092.db2.gz LBOBGCGANVWQJB-VWLOTQADSA-N 1 0 511.619 4.510 50 0 KJAARO COc1ccccc1-c1nnc(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1CCc1ccccc1 ZINC000012530931 553386183 /nfs/dbraw/zinc/38/61/83/553386183.db2.gz XWPRTJOBAZQMMA-RUZDIDTESA-N 1 0 515.683 4.708 50 0 KJAARO COc1ccccc1-c1nnc(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1CCc1ccccc1 ZINC000012530934 553386202 /nfs/dbraw/zinc/38/62/02/553386202.db2.gz XWPRTJOBAZQMMA-VWLOTQADSA-N 1 0 515.683 4.708 50 0 KJAARO COc1ccccc1[C@@H](CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)[NH+]1CCCC1 ZINC000012535968 553387670 /nfs/dbraw/zinc/38/76/70/553387670.db2.gz BZHQTWHJLNQSID-AREMUKBSSA-N 1 0 507.656 4.680 50 0 KJAARO COc1ccccc1[C@H](CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)[NH+]1CCCC1 ZINC000012535969 553387612 /nfs/dbraw/zinc/38/76/12/553387612.db2.gz BZHQTWHJLNQSID-SANMLTNESA-N 1 0 507.656 4.680 50 0 KJAARO COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)[NH+]2CCCCC2)cc1 ZINC000012536173 553387575 /nfs/dbraw/zinc/38/75/75/553387575.db2.gz VVWJBEYLLMPLAH-HHHXNRCGSA-N 1 0 507.656 4.761 50 0 KJAARO COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)[NH+]2CCCCC2)cc1 ZINC000012536174 553387629 /nfs/dbraw/zinc/38/76/29/553387629.db2.gz VVWJBEYLLMPLAH-MHZLTWQESA-N 1 0 507.656 4.761 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012561241 553394608 /nfs/dbraw/zinc/39/46/08/553394608.db2.gz FVJDZRDOPYOPDH-UHFFFAOYSA-N 1 0 517.573 4.901 50 0 KJAARO CCOC(=O)c1c2c(sc1NC(=O)CSc1nncn1-c1ccccc1F)C(C)(C)[NH2+]C(C)(C)C2 ZINC000012562884 553395114 /nfs/dbraw/zinc/39/51/14/553395114.db2.gz JRAJWBAOPQJTPU-UHFFFAOYSA-N 1 0 517.652 4.535 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000012563175 553395551 /nfs/dbraw/zinc/39/55/51/553395551.db2.gz PZSZRGUTPXGUBP-UHFFFAOYSA-N 1 0 502.011 4.674 50 0 KJAARO O=C(Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012598757 553400665 /nfs/dbraw/zinc/40/06/65/553400665.db2.gz NIMJPPRQOGPQRR-JOCHJYFZSA-N 1 0 521.561 4.595 50 0 KJAARO O=C(Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012598758 553400629 /nfs/dbraw/zinc/40/06/29/553400629.db2.gz NIMJPPRQOGPQRR-QFIPXVFZSA-N 1 0 521.561 4.595 50 0 KJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3cccc(OC)c3OC)c(=O)cc21 ZINC000012657954 553411002 /nfs/dbraw/zinc/41/10/02/553411002.db2.gz RSQVAKQWISDOJT-NRFANRHFSA-N 1 0 506.599 4.576 50 0 biogenic KJAARO COc1cc2c(c(OC)c1OC)-c1ccc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012658245 553411258 /nfs/dbraw/zinc/41/12/58/553411258.db2.gz MHDVWKYIIVNXDK-QFIPXVFZSA-N 1 0 523.674 4.584 50 0 biogenic KJAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000012884804 553426022 /nfs/dbraw/zinc/42/60/22/553426022.db2.gz JDJAEKBGKCLGLC-AREMUKBSSA-N 1 0 521.061 4.912 50 0 KJAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000012884813 553425974 /nfs/dbraw/zinc/42/59/74/553425974.db2.gz JDJAEKBGKCLGLC-SANMLTNESA-N 1 0 521.061 4.912 50 0 KJAARO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000013131455 553451435 /nfs/dbraw/zinc/45/14/35/553451435.db2.gz OWCACDQLXXNXAD-UHFFFAOYSA-N 1 0 534.726 4.630 50 0 KJAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)cc1 ZINC000013145764 553454830 /nfs/dbraw/zinc/45/48/30/553454830.db2.gz IPLKXIBVUBIWNZ-UHFFFAOYSA-N 1 0 522.401 4.562 50 0 KJAARO CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000013524157 553468678 /nfs/dbraw/zinc/46/86/78/553468678.db2.gz PTASUJNJZJOLMA-UHFFFAOYSA-N 1 0 503.643 4.820 50 0 KJAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000013557387 553471298 /nfs/dbraw/zinc/47/12/98/553471298.db2.gz SQLALHZTJALFDD-BAAZAXTHSA-N 1 0 512.009 4.971 50 0 KJAARO O=c1c2cc(NC(=S)NCCC[NH+]3CCC(Cc4ccccc4)CC3)ccc2nc2n1CCCCC2 ZINC000013572935 553474295 /nfs/dbraw/zinc/47/42/95/553474295.db2.gz GWHHFRPVMDSYAW-UHFFFAOYSA-N 1 0 503.716 4.754 50 0 KJAARO O=C(N/C(=C\c1c[nH]c2ccccc12)C(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000013579621 553475501 /nfs/dbraw/zinc/47/55/01/553475501.db2.gz NSWFRSBMSPLKDU-MQROPUAKSA-N 1 0 504.634 4.641 50 0 KJAARO O=C(N/C(=C\c1c[nH]c2ccccc12)C(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000013579623 553475573 /nfs/dbraw/zinc/47/55/73/553475573.db2.gz NSWFRSBMSPLKDU-RIPCIUMVSA-N 1 0 504.634 4.641 50 0 KJAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000013813841 553492680 /nfs/dbraw/zinc/49/26/80/553492680.db2.gz QEBRGKUXJSEWSI-BJKAILTGSA-N 1 0 521.617 4.717 50 0 KJAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000013814473 553492686 /nfs/dbraw/zinc/49/26/86/553492686.db2.gz SFJVDJKWVJXRMO-BJKAILTGSA-N 1 0 521.617 4.717 50 0 KJAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC(F)F)cc1 ZINC000014356788 553512175 /nfs/dbraw/zinc/51/21/75/553512175.db2.gz KVYQRUFUWTZRKX-KPKJPENVSA-N 1 0 510.379 4.774 50 0 KJAARO C[NH+](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl)c1ccccc1 ZINC000014361130 553514288 /nfs/dbraw/zinc/51/42/88/553514288.db2.gz ALJGDTQOBCSSQX-DFFJHKNISA-N 1 0 516.107 4.620 50 0 KJAARO C[NH+](C)[C@H](CNC(=O)c1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl)c1ccccc1 ZINC000014361132 553514298 /nfs/dbraw/zinc/51/42/98/553514298.db2.gz ALJGDTQOBCSSQX-GUMMOOENSA-N 1 0 516.107 4.620 50 0 KJAARO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3ccc(O)cc3)C2)c1 ZINC000014531249 553517428 /nfs/dbraw/zinc/51/74/28/553517428.db2.gz UAJLNCWLGBJILK-WUFINQPMSA-N 1 0 511.666 4.891 50 0 KJAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCc2ccccc2)c2ccccc21 ZINC000014535228 553517842 /nfs/dbraw/zinc/51/78/42/553517842.db2.gz AVVJYDUTUVKLLF-UHFFFAOYSA-N 1 0 507.638 4.615 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1OC ZINC000014539363 553518284 /nfs/dbraw/zinc/51/82/84/553518284.db2.gz FANPQKSDRSIKKJ-BJKOFHAPSA-N 1 0 519.617 4.545 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)N3CCCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014542233 553518859 /nfs/dbraw/zinc/51/88/59/553518859.db2.gz AEHPLCJXICPUDI-LEWJYISDSA-N 1 0 506.565 4.862 50 0 KJAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+](Cc2cn(C)c4ccccc24)CC3)cc1 ZINC000014542745 553518812 /nfs/dbraw/zinc/51/88/12/553518812.db2.gz ROWXBHDCHHBFSF-UHFFFAOYSA-N 1 0 502.659 4.684 50 0 KJAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014543639 553518806 /nfs/dbraw/zinc/51/88/06/553518806.db2.gz NLZVNEMYTUKEPM-UHFFFAOYSA-N 1 0 505.688 4.969 50 0 KJAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@H+](CCc2ccccc2)C1 ZINC000014731487 553519361 /nfs/dbraw/zinc/51/93/61/553519361.db2.gz WZJYDEYKENLPMX-LOSJGSFVSA-N 1 0 512.629 4.785 50 0 KJAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)c2ccccc21 ZINC000014740375 553519436 /nfs/dbraw/zinc/51/94/36/553519436.db2.gz HIXHAGBMHRHYFG-UHFFFAOYSA-N 1 0 507.638 4.615 50 0 KJAARO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014741656 1067158623 /nfs/dbraw/zinc/15/86/23/1067158623.db2.gz DCOIKWMFPWURHD-PWUYWRBVSA-N 1 0 508.666 4.928 50 0 KJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000014743853 553519822 /nfs/dbraw/zinc/51/98/22/553519822.db2.gz HZFCRPKRDHAGOE-UHFFFAOYSA-N 1 0 501.627 4.684 50 0 KJAARO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014743874 553519943 /nfs/dbraw/zinc/51/99/43/553519943.db2.gz FEVRLDREKBXKGW-WUFINQPMSA-N 1 0 511.666 4.620 50 0 KJAARO O=C(NCCCn1ccnc1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014744430 1067158666 /nfs/dbraw/zinc/15/86/66/1067158666.db2.gz GADHZSMBCYWWCQ-RPLLCQBOSA-N 1 0 500.618 4.899 50 0 KJAARO COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 ZINC000014746204 553520083 /nfs/dbraw/zinc/52/00/83/553520083.db2.gz QSUZCHSEEAJGPB-UHFFFAOYSA-N 1 0 510.638 4.777 50 0 KJAARO COC(=O)c1c(NC(C)=O)c2cc(NC3CC[NH+](C(C)C)CC3)cnc2n1CCc1c[nH]c2ccccc12 ZINC000014746882 1067159582 /nfs/dbraw/zinc/15/95/82/1067159582.db2.gz XMTFFPKINOSZEO-UHFFFAOYSA-N 1 0 516.646 4.790 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NC3CCCCC3)C2)cc1OC ZINC000014749061 553520348 /nfs/dbraw/zinc/52/03/48/553520348.db2.gz PGJONIOKIZZMOA-LOSJGSFVSA-N 1 0 519.686 4.718 50 0 KJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000014749131 553520342 /nfs/dbraw/zinc/52/03/42/553520342.db2.gz YBBFQNVCYWWQSM-UHFFFAOYSA-N 1 0 501.627 4.684 50 0 KJAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+](Cc2nc4ccccc4s2)CC3)cc1 ZINC000014750407 553520582 /nfs/dbraw/zinc/52/05/82/553520582.db2.gz PENOVHFBIAZANC-UHFFFAOYSA-N 1 0 506.672 4.802 50 0 KJAARO O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](Cc3nc4ccccc4s3)CC2)N1CCc1ccccc1 ZINC000014750829 553520529 /nfs/dbraw/zinc/52/05/29/553520529.db2.gz RMZISBHTOGZHEE-UHFFFAOYSA-N 1 0 511.651 4.733 50 0 KJAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](CCc3ccccc3)C2)cc1 ZINC000014751622 553520511 /nfs/dbraw/zinc/52/05/11/553520511.db2.gz JRQRJWOGYPJIOX-WUFINQPMSA-N 1 0 511.666 4.620 50 0 KJAARO COCCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000014753041 1067160346 /nfs/dbraw/zinc/16/03/46/1067160346.db2.gz SWROVIINPDKDDI-VQTJNVASSA-N 1 0 503.565 4.857 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014882851 553521101 /nfs/dbraw/zinc/52/11/01/553521101.db2.gz IXYMNMIIENRJQH-SQJMNOBHSA-N 1 0 507.572 4.810 50 0 KJAARO COC(=O)CC[C@H]1C[N@H+](Cc2c(OC)ccc3ccccc32)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000014884266 553521324 /nfs/dbraw/zinc/52/13/24/553521324.db2.gz FVHRMURXTWSHHB-RBJSKKJNSA-N 1 0 519.661 4.953 50 0 KJAARO O=C(CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)NCc1ccc(C(F)(F)F)cc1 ZINC000014884624 553521300 /nfs/dbraw/zinc/52/13/00/553521300.db2.gz QFJHRWOJDMRTFJ-WIOPSUGQSA-N 1 0 524.027 4.978 50 0 KJAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(C)cc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014888065 553521344 /nfs/dbraw/zinc/52/13/44/553521344.db2.gz BAVZFWOPJPUZLZ-JYFHCDHNSA-N 1 0 503.609 4.980 50 0 KJAARO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000014943694 553521709 /nfs/dbraw/zinc/52/17/09/553521709.db2.gz BSLNTCMTDKFTLK-HLFSLLAWSA-N 1 0 506.389 4.533 50 0 KJAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000014961023 553522760 /nfs/dbraw/zinc/52/27/60/553522760.db2.gz WFKARISHGLKRKJ-UHFFFAOYSA-N 1 0 500.668 4.765 50 0 KJAARO COc1cc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2C[NH+](C)C)cc(OC)c1OC ZINC000014964421 553522581 /nfs/dbraw/zinc/52/25/81/553522581.db2.gz SZPLQAVODOCQIU-UHFFFAOYSA-N 1 0 521.639 4.746 50 0 KJAARO Cc1ccn(CCC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@@H+](C)C3)C2)n1 ZINC000014967924 553522597 /nfs/dbraw/zinc/52/25/97/553522597.db2.gz LNZRWUCSQDCRHI-JOCHJYFZSA-N 1 0 508.688 4.760 50 0 KJAARO Cc1ccn(CCC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@@H+](C)C3)C2)n1 ZINC000014967929 553522587 /nfs/dbraw/zinc/52/25/87/553522587.db2.gz LNZRWUCSQDCRHI-QFIPXVFZSA-N 1 0 508.688 4.760 50 0 KJAARO COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C[N@H+](C)Cc4ccsc4)c3)CC2)cc1OC ZINC000014974716 1066495347 /nfs/dbraw/zinc/49/53/47/1066495347.db2.gz JDCJESILZHNNAI-UHFFFAOYSA-N 1 0 516.685 4.629 50 0 KJAARO C[NH+](C)[C@@H]1CCN(Cc2ccc3ccccc3c2)C[C@@H]1CCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000014979451 553523259 /nfs/dbraw/zinc/52/32/59/553523259.db2.gz HFHWAAVQSANUOF-LMSSTIIKSA-N 1 0 502.678 4.860 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2c(F)cccc2F)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014979502 553523231 /nfs/dbraw/zinc/52/32/31/553523231.db2.gz VILDUUOFTLLXRN-UQBPGWFLSA-N 1 0 525.562 4.950 50 0 KJAARO Cc1nn(C)c(C)c1CNC(=O)COc1ccc(-c2ccsc2)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000014980501 553523226 /nfs/dbraw/zinc/52/32/26/553523226.db2.gz POJYVIACNCQNMC-UHFFFAOYSA-N 1 0 529.710 4.783 50 0 KJAARO COC(=O)Cn1c(=O)c(C[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc2ccc(Cl)cc21 ZINC000014987042 553523869 /nfs/dbraw/zinc/52/38/69/553523869.db2.gz CYCXYCAPPWEEOR-UHFFFAOYSA-N 1 0 531.052 4.976 50 0 KJAARO COc1ccc(CCNC(=O)CC[C@H]2CN(Cc3ccc4ccccc4c3)CC[C@H]2[NH+](C)C)cc1OC ZINC000014992155 553524186 /nfs/dbraw/zinc/52/41/86/553524186.db2.gz CZBGFRACWRVIQP-WUFINQPMSA-N 1 0 503.687 4.748 50 0 KJAARO Cc1nc(C(=O)N2CCN(CCOc3ccc(C[NH+]4CCC(Cc5ccccc5)CC4)cc3)CC2)cs1 ZINC000014992198 553524194 /nfs/dbraw/zinc/52/41/94/553524194.db2.gz RFRHLADPYPPFFR-UHFFFAOYSA-N 1 0 518.727 4.743 50 0 KJAARO C[N@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000014995799 1067160537 /nfs/dbraw/zinc/16/05/37/1067160537.db2.gz KYBOQGSCJOYPOS-UHFFFAOYSA-N 1 0 504.656 4.593 50 0 KJAARO C[N@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)Cc3ccc(N4CCNC4=O)cc3)CC2)c1 ZINC000014996178 1066496049 /nfs/dbraw/zinc/49/60/49/1066496049.db2.gz PAGJNPVCWWTWET-UHFFFAOYSA-N 1 0 518.683 4.522 50 0 KJAARO COc1cc(C[C@@H](C)[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)ccc1O ZINC000015000197 1067161516 /nfs/dbraw/zinc/16/15/16/1067161516.db2.gz SUVMWSCLPWADKE-LJQANCHMSA-N 1 0 520.029 4.604 50 0 KJAARO COc1cc(C[C@H](C)[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)ccc1O ZINC000015000200 1067161469 /nfs/dbraw/zinc/16/14/69/1067161469.db2.gz SUVMWSCLPWADKE-IBGZPJMESA-N 1 0 520.029 4.604 50 0 KJAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc4cc(C)ccc4n(Cc4cccc(F)c4)c3=O)CC2)C1 ZINC000015000802 553524893 /nfs/dbraw/zinc/52/48/93/553524893.db2.gz GRJVQGJMVONKOH-XMMPIXPASA-N 1 0 519.661 4.737 50 0 KJAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc4cc(C)ccc4n(Cc4cccc(F)c4)c3=O)CC2)C1 ZINC000015000805 553524998 /nfs/dbraw/zinc/52/49/98/553524998.db2.gz GRJVQGJMVONKOH-DEOSSOPVSA-N 1 0 519.661 4.737 50 0 KJAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cncs3)CC2)cc1 ZINC000015003571 553525223 /nfs/dbraw/zinc/52/52/23/553525223.db2.gz GWKUKDICSGPEQW-UHFFFAOYSA-N 1 0 506.697 4.827 50 0 KJAARO C[N@H+](Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000015005335 553525152 /nfs/dbraw/zinc/52/51/52/553525152.db2.gz DIXZQZQPLJWHMW-MUUNZHRXSA-N 1 0 530.713 4.595 50 0 KJAARO C[N@H+](Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000015005338 553525068 /nfs/dbraw/zinc/52/50/68/553525068.db2.gz DIXZQZQPLJWHMW-NDEPHWFRSA-N 1 0 530.713 4.595 50 0 KJAARO COc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(c2nncn2C)CC1 ZINC000015005408 553525241 /nfs/dbraw/zinc/52/52/41/553525241.db2.gz AYEHZDBTMGTEHR-UHFFFAOYSA-N 1 0 511.626 4.888 50 0 KJAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000015005551 553525086 /nfs/dbraw/zinc/52/50/86/553525086.db2.gz ZHHKKWMVQQJKLG-UHFFFAOYSA-N 1 0 500.668 4.765 50 0 KJAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000015067739 553527344 /nfs/dbraw/zinc/52/73/44/553527344.db2.gz SVJGVIPIFAQVDK-LADGPHEKSA-N 1 0 519.608 4.680 50 0 KJAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000015071173 553527305 /nfs/dbraw/zinc/52/73/05/553527305.db2.gz QEXMVKCKAWZELK-RPWUZVMVSA-N 1 0 507.622 4.613 50 0 KJAARO COC(=O)CC[C@H]1C[N@@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000015072524 553527243 /nfs/dbraw/zinc/52/72/43/553527243.db2.gz MAESTVCIVNORAK-WNCULLNHSA-N 1 0 515.620 4.639 50 0 KJAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC000015072897 553527324 /nfs/dbraw/zinc/52/73/24/553527324.db2.gz DLRSAAFQPMDAQZ-VWNXMTODSA-N 1 0 507.622 4.613 50 0 KJAARO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@@H]45)cc3n2)cc1OC ZINC000015276445 553530461 /nfs/dbraw/zinc/53/04/61/553530461.db2.gz KOHCDUZPFFPZTD-PXNSSMCTSA-N 1 0 518.536 4.854 50 0 KJAARO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@@H]45)cc3n2)cc1OC ZINC000015276447 553530517 /nfs/dbraw/zinc/53/05/17/553530517.db2.gz KOHCDUZPFFPZTD-XLIONFOSSA-N 1 0 518.536 4.854 50 0 KJAARO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@@H]45)c3n2)cc1OC ZINC000015276485 553530499 /nfs/dbraw/zinc/53/04/99/553530499.db2.gz XRJBVOWVZSJZLM-PXNSSMCTSA-N 1 0 518.536 4.854 50 0 KJAARO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@@H]45)c3n2)cc1OC ZINC000015276487 553530595 /nfs/dbraw/zinc/53/05/95/553530595.db2.gz XRJBVOWVZSJZLM-XLIONFOSSA-N 1 0 518.536 4.854 50 0 KJAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000015306550 553531384 /nfs/dbraw/zinc/53/13/84/553531384.db2.gz USOOSUCQAHQJJY-YCYTWPSCSA-N 1 0 501.586 4.770 50 0 KJAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000015318865 553531545 /nfs/dbraw/zinc/53/15/45/553531545.db2.gz BHJLXMGVZGASSY-LPHOPBHVSA-N 1 0 502.493 4.565 50 0 KJAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000015318868 553531540 /nfs/dbraw/zinc/53/15/40/553531540.db2.gz BHJLXMGVZGASSY-APWZRJJASA-N 1 0 502.493 4.565 50 0 KJAARO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000015320414 553531896 /nfs/dbraw/zinc/53/18/96/553531896.db2.gz SIZOWOMSYOWCDN-LETPREFUSA-N 1 0 505.549 4.519 50 0 KJAARO O=C(NCc1cccc(Br)c1)c1ccc2nc(N3CC[NH+](C4CCCCC4)CC3)ccc2n1 ZINC000015725886 553535458 /nfs/dbraw/zinc/53/54/58/553535458.db2.gz JNCSSTBSRVNHQI-UHFFFAOYSA-N 1 0 508.464 4.777 50 0 KJAARO CN(CC(=O)N1CCC([NH+]2CCCCC2)CC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000015862644 553537888 /nfs/dbraw/zinc/53/78/88/553537888.db2.gz STHHTCCSMDBCDL-UHFFFAOYSA-N 1 0 509.724 4.581 50 0 KJAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000015905767 553540093 /nfs/dbraw/zinc/54/00/93/553540093.db2.gz RAXSRGJYBRXWEH-BHVANESWSA-N 1 0 522.070 4.883 50 0 KJAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000015905768 553540099 /nfs/dbraw/zinc/54/00/99/553540099.db2.gz RAXSRGJYBRXWEH-PSXMRANNSA-N 1 0 522.070 4.883 50 0 KJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3Cl)c(C)n2n1 ZINC000015942418 553543706 /nfs/dbraw/zinc/54/37/06/553543706.db2.gz QGQUDOUKTKQQPU-OAQYLSRUSA-N 1 0 515.127 4.848 50 0 KJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3Cl)c(C)n2n1 ZINC000015942420 553543728 /nfs/dbraw/zinc/54/37/28/553543728.db2.gz QGQUDOUKTKQQPU-NRFANRHFSA-N 1 0 515.127 4.848 50 0 KJAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[NH+]4CCCC4)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000015944164 553543788 /nfs/dbraw/zinc/54/37/88/553543788.db2.gz YVCBQFNYFVOGSO-QNGWXLTQSA-N 1 0 515.679 4.846 50 0 KJAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[NH+]4CCCC4)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000015944167 553543840 /nfs/dbraw/zinc/54/38/40/553543840.db2.gz YVCBQFNYFVOGSO-DIPNUNPCSA-N 1 0 515.679 4.846 50 0 KJAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc(I)c1OC ZINC000015947056 553545134 /nfs/dbraw/zinc/54/51/34/553545134.db2.gz RHNNDCFNTCRUEL-SFHVURJKSA-N 1 0 513.401 4.565 50 0 KJAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc(I)c1OC ZINC000015947058 553545174 /nfs/dbraw/zinc/54/51/74/553545174.db2.gz RHNNDCFNTCRUEL-GOSISDBHSA-N 1 0 513.401 4.565 50 0 KJAARO COc1ccc(NC(=O)C[NH+](CCc2ccccc2)CCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000015981101 553548897 /nfs/dbraw/zinc/54/88/97/553548897.db2.gz HRNREHZELHROSW-UHFFFAOYSA-N 1 0 535.710 4.596 50 0 KJAARO Cc1cccc2c1NC(=O)[C@]21[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]2(c3ccccc3NC2=O)[C@@H]2CCC[N@@H+]21 ZINC000016025725 553551218 /nfs/dbraw/zinc/55/12/18/553551218.db2.gz SHZNRDYZSOJXCP-AFSZJOKHSA-N 1 0 521.617 4.797 50 0 biogenic KJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000016283115 553558404 /nfs/dbraw/zinc/55/84/04/553558404.db2.gz AZUJSVVRZBVEMM-UHFFFAOYSA-N 1 0 508.018 4.775 50 0 KJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(Br)o2)c1 ZINC000016687785 553572677 /nfs/dbraw/zinc/57/26/77/553572677.db2.gz CSNRLWBHQZUWKU-UHFFFAOYSA-N 1 0 512.404 4.793 50 0 KJAARO Cc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NCCC[NH+](C)C)cc1 ZINC000016711581 553574990 /nfs/dbraw/zinc/57/49/90/553574990.db2.gz BDYGXEUNIMSHRQ-HFTWOUSFSA-N 1 0 507.638 4.687 50 0 KJAARO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000016837418 553583613 /nfs/dbraw/zinc/58/36/13/553583613.db2.gz CHPNYVRRSWTISR-UHFFFAOYSA-N 1 0 532.707 4.987 50 0 KJAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2c(cccc2F)s1 ZINC000016913519 553583926 /nfs/dbraw/zinc/58/39/26/553583926.db2.gz FWICLTWAECSCMW-UHFFFAOYSA-N 1 0 518.680 4.599 50 0 KJAARO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1 ZINC000016913538 553583921 /nfs/dbraw/zinc/58/39/21/553583921.db2.gz FOIBPVGXGQIYLA-UHFFFAOYSA-N 1 0 532.707 4.987 50 0 KJAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(F)cc2s1 ZINC000016913543 553583949 /nfs/dbraw/zinc/58/39/49/553583949.db2.gz KAEOSBXBRKKEEV-UHFFFAOYSA-N 1 0 518.680 4.599 50 0 KJAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2c1 ZINC000017122097 553588219 /nfs/dbraw/zinc/58/82/19/553588219.db2.gz MVNJVVZXVJTEKU-UHFFFAOYSA-N 1 0 514.717 4.768 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2cc(C)cc(C)c2s1 ZINC000017287598 553592137 /nfs/dbraw/zinc/59/21/37/553592137.db2.gz MSWDFRIWVJZPPP-UHFFFAOYSA-N 1 0 514.717 4.686 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(F)cc2s1 ZINC000017287613 553592115 /nfs/dbraw/zinc/59/21/15/553592115.db2.gz KKLKDPHZUDAUCI-UHFFFAOYSA-N 1 0 532.707 4.989 50 0 KJAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)C[NH+](CCO)CCO)c2ccccc12 ZINC000017297205 553592302 /nfs/dbraw/zinc/59/23/02/553592302.db2.gz NIWJEYOEHMNEJG-SANMLTNESA-N 1 0 544.692 4.675 50 0 KJAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)C[NH+](CCO)CCO)c2ccccc12 ZINC000017297208 553592345 /nfs/dbraw/zinc/59/23/45/553592345.db2.gz NIWJEYOEHMNEJG-AREMUKBSSA-N 1 0 544.692 4.675 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCC[N@H+](C)Cc4ccccc4)c3c2)CC1 ZINC000017357227 553594567 /nfs/dbraw/zinc/59/45/67/553594567.db2.gz RJWIXZYMUAWTFI-UHFFFAOYSA-N 1 0 557.720 4.579 50 0 KJAARO CCOc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc21 ZINC000017376283 553594875 /nfs/dbraw/zinc/59/48/75/553594875.db2.gz PXOSAAHZVBFMPX-UHFFFAOYSA-N 1 0 544.743 4.858 50 0 KJAARO O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000017545525 553597681 /nfs/dbraw/zinc/59/76/81/553597681.db2.gz ZJWPCCAIGWMVOM-UHFFFAOYSA-N 1 0 526.033 4.853 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000017596025 553598753 /nfs/dbraw/zinc/59/87/53/553598753.db2.gz IXBZKSGTYRHANP-UHFFFAOYSA-N 1 0 536.094 4.656 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000018195354 553608669 /nfs/dbraw/zinc/60/86/69/553608669.db2.gz XDWBKZMTESINTQ-MHZLTWQESA-N 1 0 528.678 4.691 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000018195356 553608649 /nfs/dbraw/zinc/60/86/49/553608649.db2.gz XDWBKZMTESINTQ-HHHXNRCGSA-N 1 0 528.678 4.691 50 0 KJAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369918 553614074 /nfs/dbraw/zinc/61/40/74/553614074.db2.gz XESODQRWBFMKEB-CBYBEUNKSA-N 1 0 500.683 4.679 50 0 biogenic KJAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369920 553614135 /nfs/dbraw/zinc/61/41/35/553614135.db2.gz XESODQRWBFMKEB-HYMOCLBVSA-N 1 0 500.683 4.679 50 0 biogenic KJAARO CCOc1ccccc1N1CCN(Cc2ccc(C(=O)NC3c4ccccc4-c4ccccc43)c(=O)[nH]2)CC1 ZINC000019640965 1066371988 /nfs/dbraw/zinc/37/19/88/1066371988.db2.gz JBDPLMDZIAREBA-UHFFFAOYSA-N 1 0 520.633 4.596 50 0 KJAARO CCOc1ccccc1N1CC[NH+](Cc2cc3ccc(F)cc3n(Cc3cccc(OC)c3)c2=O)CC1 ZINC000019743048 553615656 /nfs/dbraw/zinc/61/56/56/553615656.db2.gz FBKVOOKQTDRQCQ-UHFFFAOYSA-N 1 0 501.602 4.918 50 0 KJAARO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](CCc1ccccc1)C3 ZINC000019798762 553617201 /nfs/dbraw/zinc/61/72/01/553617201.db2.gz QSCYUBCDFRZJSG-UHFFFAOYSA-N 1 0 505.665 4.703 50 0 KJAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000019809352 553618167 /nfs/dbraw/zinc/61/81/67/553618167.db2.gz VWXKOQMSGFDBGP-DEOSSOPVSA-N 1 0 509.528 4.624 50 0 KJAARO C[C@@H](NC(=O)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)[nH]c1=O)c1cccc2ccccc21 ZINC000019811543 1066371955 /nfs/dbraw/zinc/37/19/55/1066371955.db2.gz SKYGXULRBOPNKX-NOENIZQJSA-N 1 0 506.650 4.850 50 0 KJAARO C[C@H](NC(=O)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)[nH]c1=O)c1cccc2ccccc21 ZINC000019811547 1066371880 /nfs/dbraw/zinc/37/18/80/1066371880.db2.gz SKYGXULRBOPNKX-DDVUFSRBSA-N 1 0 506.650 4.850 50 0 KJAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000019831059 553622707 /nfs/dbraw/zinc/62/27/07/553622707.db2.gz ZCOYZJBHUDMCSE-XMMPIXPASA-N 1 0 525.983 4.894 50 0 KJAARO O=C(CC12CC3CC(CC(C3)C1)C2)NCCCN1CC[NH+](CCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019840599 553623227 /nfs/dbraw/zinc/62/32/27/553623227.db2.gz OXRDTWSPNGPTJE-UHFFFAOYSA-N 1 0 552.848 4.830 50 0 KJAARO CC(C)(C)c1ccc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000019850946 553623851 /nfs/dbraw/zinc/62/38/51/553623851.db2.gz WTTJSZMHLRCCHR-UHFFFAOYSA-N 1 0 520.762 4.839 50 0 KJAARO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019854687 553624158 /nfs/dbraw/zinc/62/41/58/553624158.db2.gz SDALHPNZAOPIDL-WMPKNSHKSA-N 1 0 532.688 4.942 50 0 KJAARO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019854689 553624181 /nfs/dbraw/zinc/62/41/81/553624181.db2.gz SDALHPNZAOPIDL-CLJLJLNGSA-N 1 0 532.688 4.942 50 0 KJAARO O[C@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019854691 553624063 /nfs/dbraw/zinc/62/40/63/553624063.db2.gz SDALHPNZAOPIDL-UIOOFZCWSA-N 1 0 532.688 4.942 50 0 KJAARO Cc1cnc(Nc2ccc(OCC[NH+]3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000019862646 553628938 /nfs/dbraw/zinc/62/89/38/553628938.db2.gz JOOXLOJCABQBSG-UHFFFAOYSA-N 1 0 524.691 4.824 50 0 investigational KJAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Br)cc4)=[NH+]CCN3)[C@@H]2c2cccnc2)cc1 ZINC000019874920 553629061 /nfs/dbraw/zinc/62/90/61/553629061.db2.gz NYTYUUHSJRCHAR-VWLOTQADSA-N 1 0 503.400 4.677 50 0 KJAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Br)cc4)=[NH+]CCN3)[C@H]2c2cccnc2)cc1 ZINC000019874922 553629278 /nfs/dbraw/zinc/62/92/78/553629278.db2.gz NYTYUUHSJRCHAR-RUZDIDTESA-N 1 0 503.400 4.677 50 0 KJAARO COc1ccc(Cl)cc1Nc1nc(N)nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019899217 553632535 /nfs/dbraw/zinc/63/25/35/553632535.db2.gz BKDYSNWSLKDMIG-UHFFFAOYSA-N 1 0 516.049 4.767 50 0 KJAARO Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)CN4CC[NH+](Cc5ccccc5)CC4)ccc3c2=O)c1 ZINC000019912302 553633525 /nfs/dbraw/zinc/63/35/25/553633525.db2.gz UWQWNFXKMIUMEX-VWLOTQADSA-N 1 0 514.622 4.760 50 0 KJAARO Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CC[NH+](Cc5ccccc5)CC4)ccc3c2=O)c1 ZINC000019912306 553633448 /nfs/dbraw/zinc/63/34/48/553633448.db2.gz UWQWNFXKMIUMEX-RUZDIDTESA-N 1 0 514.622 4.760 50 0 KJAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000020105488 553689771 /nfs/dbraw/zinc/68/97/71/553689771.db2.gz YWFAWEHPNMJDGX-UHFFFAOYSA-N 1 0 517.718 4.594 50 0 KJAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000020107944 553690938 /nfs/dbraw/zinc/69/09/38/553690938.db2.gz LUMURRGFYOTQLW-DEOSSOPVSA-N 1 0 529.106 4.946 50 0 KJAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000020107946 553690836 /nfs/dbraw/zinc/69/08/36/553690836.db2.gz LUMURRGFYOTQLW-XMMPIXPASA-N 1 0 529.106 4.946 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000020109085 553692096 /nfs/dbraw/zinc/69/20/96/553692096.db2.gz IYMILNLWPOOXJA-OFQAEJFBSA-N 1 0 515.629 4.916 50 0 KJAARO CCC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020109097 553692037 /nfs/dbraw/zinc/69/20/37/553692037.db2.gz RLPCLGIBXXZFTF-URLMMPGGSA-N 1 0 515.629 4.869 50 0 KJAARO CCC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020109099 553692012 /nfs/dbraw/zinc/69/20/12/553692012.db2.gz RLPCLGIBXXZFTF-FQLXRVMXSA-N 1 0 515.629 4.869 50 0 KJAARO CCC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020109101 553691945 /nfs/dbraw/zinc/69/19/45/553691945.db2.gz RLPCLGIBXXZFTF-VMPREFPWSA-N 1 0 515.629 4.869 50 0 KJAARO CCC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020109103 553691937 /nfs/dbraw/zinc/69/19/37/553691937.db2.gz RLPCLGIBXXZFTF-WDYNHAJCSA-N 1 0 515.629 4.869 50 0 KJAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000020112426 553694587 /nfs/dbraw/zinc/69/45/87/553694587.db2.gz CQVFIZJAOGPEQN-WGDIFIGCSA-N 1 0 529.479 4.501 50 0 KJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020113659 553695356 /nfs/dbraw/zinc/69/53/56/553695356.db2.gz PIOPLCBLRJPREQ-MHFIUEFXSA-N 1 0 537.701 4.681 50 0 KJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020113661 553695395 /nfs/dbraw/zinc/69/53/95/553695395.db2.gz PIOPLCBLRJPREQ-IHAFQSIOSA-N 1 0 537.701 4.681 50 0 KJAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020114929 553695994 /nfs/dbraw/zinc/69/59/94/553695994.db2.gz NHOSZAXFTCOPMZ-XMMPIXPASA-N 1 0 529.106 4.802 50 0 KJAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020114931 553695984 /nfs/dbraw/zinc/69/59/84/553695984.db2.gz NHOSZAXFTCOPMZ-DEOSSOPVSA-N 1 0 529.106 4.802 50 0 KJAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020114957 553695981 /nfs/dbraw/zinc/69/59/81/553695981.db2.gz NPXJRIJDAPQBAU-DEOSSOPVSA-N 1 0 529.106 4.802 50 0 KJAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020114959 553696034 /nfs/dbraw/zinc/69/60/34/553696034.db2.gz NPXJRIJDAPQBAU-XMMPIXPASA-N 1 0 529.106 4.802 50 0 KJAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020115116 553696571 /nfs/dbraw/zinc/69/65/71/553696571.db2.gz BVJKDEVEDWPSPS-SANMLTNESA-N 1 0 522.715 4.847 50 0 KJAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020115118 553696671 /nfs/dbraw/zinc/69/66/71/553696671.db2.gz BVJKDEVEDWPSPS-AREMUKBSSA-N 1 0 522.715 4.847 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115165 553696648 /nfs/dbraw/zinc/69/66/48/553696648.db2.gz KZLDUNDQBMYCIV-DEOSSOPVSA-N 1 0 529.106 4.802 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115167 553696615 /nfs/dbraw/zinc/69/66/15/553696615.db2.gz KZLDUNDQBMYCIV-XMMPIXPASA-N 1 0 529.106 4.802 50 0 KJAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115169 553696633 /nfs/dbraw/zinc/69/66/33/553696633.db2.gz RYNRJAHPNUPZPS-SANMLTNESA-N 1 0 522.715 4.847 50 0 KJAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115171 553696550 /nfs/dbraw/zinc/69/65/50/553696550.db2.gz RYNRJAHPNUPZPS-AREMUKBSSA-N 1 0 522.715 4.847 50 0 KJAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115173 553696945 /nfs/dbraw/zinc/69/69/45/553696945.db2.gz JLQFKFYBBBBMCU-VWLOTQADSA-N 1 0 526.678 4.677 50 0 KJAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115174 553696963 /nfs/dbraw/zinc/69/69/63/553696963.db2.gz JLQFKFYBBBBMCU-RUZDIDTESA-N 1 0 526.678 4.677 50 0 KJAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020115198 553696864 /nfs/dbraw/zinc/69/68/64/553696864.db2.gz BNJSRIWUUFRUPV-RUZDIDTESA-N 1 0 526.678 4.677 50 0 KJAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020115201 553696940 /nfs/dbraw/zinc/69/69/40/553696940.db2.gz BNJSRIWUUFRUPV-VWLOTQADSA-N 1 0 526.678 4.677 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000020115218 553696822 /nfs/dbraw/zinc/69/68/22/553696822.db2.gz YHTZSIPBZKJNQV-QHCPKHFHSA-N 1 0 515.079 4.556 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000020115220 553696867 /nfs/dbraw/zinc/69/68/67/553696867.db2.gz YHTZSIPBZKJNQV-HSZRJFAPSA-N 1 0 515.079 4.556 50 0 KJAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117365 553590996 /nfs/dbraw/zinc/59/09/96/553590996.db2.gz FWWIJJHVQMKHDW-RTPQPHRDSA-N 1 0 539.742 4.820 50 0 KJAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117367 553591042 /nfs/dbraw/zinc/59/10/42/553591042.db2.gz FWWIJJHVQMKHDW-KJFMDDCYSA-N 1 0 539.742 4.820 50 0 KJAARO C[N@H+](Cc1ccc(OCCN2CCN(C(=O)c3cccs3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000020119147 553591026 /nfs/dbraw/zinc/59/10/26/553591026.db2.gz VFBBEUDXQLQPMT-UHFFFAOYSA-N 1 0 500.668 4.765 50 0 KJAARO Cc1cc(Br)ccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020136078 553593963 /nfs/dbraw/zinc/59/39/63/553593963.db2.gz OHIBYMBLQOCZNB-UHFFFAOYSA-N 1 0 524.463 4.723 50 0 KJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(OC)c(Cl)c4)ccc3n2)CC1 ZINC000020136344 553593797 /nfs/dbraw/zinc/59/37/97/553593797.db2.gz IDMBICKIGLQUBY-UHFFFAOYSA-N 1 0 510.038 4.705 50 0 KJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)N4CCC(Cc5ccccc5)CC4)ccc3n2)CC1 ZINC000020136412 553593790 /nfs/dbraw/zinc/59/37/90/553593790.db2.gz JNAVVLSQMQPPOP-UHFFFAOYSA-N 1 0 527.713 4.885 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000020149069 553594561 /nfs/dbraw/zinc/59/45/61/553594561.db2.gz CCAONXZFFBNPSD-XUZZJYLKSA-N 1 0 507.572 4.810 50 0 KJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cccc(Cl)c5)CC4)ccc3n2)CC1 ZINC000020153510 553598293 /nfs/dbraw/zinc/59/82/93/553598293.db2.gz SBAFLJSYILGBRN-UHFFFAOYSA-N 1 0 509.123 4.858 50 0 KJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cccc(C)c5)[C@@H](C)C4)ccc3n2)CC1 ZINC000020153629 553598235 /nfs/dbraw/zinc/59/82/35/553598235.db2.gz MWQNBEKYCRBDPN-QHCPKHFHSA-N 1 0 502.732 4.901 50 0 KJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cccc(C)c5)[C@H](C)C4)ccc3n2)CC1 ZINC000020153631 553598345 /nfs/dbraw/zinc/59/83/45/553598345.db2.gz MWQNBEKYCRBDPN-HSZRJFAPSA-N 1 0 502.732 4.901 50 0 KJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cc(C)ccc5C)CC4)ccc3n2)CC1 ZINC000020153637 553598279 /nfs/dbraw/zinc/59/82/79/553598279.db2.gz JFSMFEOBPCOVOJ-UHFFFAOYSA-N 1 0 502.732 4.821 50 0 KJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCc4cc(Br)ccc4OC)ccc3n2)CC1 ZINC000020153656 553598326 /nfs/dbraw/zinc/59/83/26/553598326.db2.gz KVAMVVMKRFGHIJ-UHFFFAOYSA-N 1 0 528.520 4.943 50 0 KJAARO CCOc1ccc(CCNC(=S)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc1OCC ZINC000020153811 553598271 /nfs/dbraw/zinc/59/82/71/553598271.db2.gz HISINWPIEKKBQO-UHFFFAOYSA-N 1 0 507.704 4.622 50 0 KJAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12 ZINC000020153822 553598314 /nfs/dbraw/zinc/59/83/14/553598314.db2.gz OQZDUMOQLIHZSG-UHFFFAOYSA-N 1 0 528.648 4.833 50 0 KJAARO Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)CC1 ZINC000020153825 553598330 /nfs/dbraw/zinc/59/83/30/553598330.db2.gz JXZBPHLPNXIQRC-UHFFFAOYSA-N 1 0 509.123 4.776 50 0 KJAARO COc1ccc(Br)cc1CNC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020153863 553598642 /nfs/dbraw/zinc/59/86/42/553598642.db2.gz UYLIZFMMEUSATJ-UHFFFAOYSA-N 1 0 514.493 4.553 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3C(=O)N1CC2 ZINC000020155483 553599411 /nfs/dbraw/zinc/59/94/11/553599411.db2.gz WICAHNYGYMPPCB-VMPREFPWSA-N 1 0 519.686 4.703 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155485 553599425 /nfs/dbraw/zinc/59/94/25/553599425.db2.gz ZKPVZVAJXZRSBR-URLMMPGGSA-N 1 0 519.686 4.559 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155487 553599412 /nfs/dbraw/zinc/59/94/12/553599412.db2.gz ZKPVZVAJXZRSBR-WDYNHAJCSA-N 1 0 519.686 4.559 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OCC)c(OCC)cc3[C@H]12 ZINC000020155502 553599495 /nfs/dbraw/zinc/59/94/95/553599495.db2.gz QRHCEEKZLFJCMD-WUFINQPMSA-N 1 0 507.675 4.559 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OCC)c(OCC)cc3[C@H]12 ZINC000020155504 553599436 /nfs/dbraw/zinc/59/94/36/553599436.db2.gz QRHCEEKZLFJCMD-VSGBNLITSA-N 1 0 507.675 4.559 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OCC)c(OCC)cc3[C@@H]12 ZINC000020155506 553599430 /nfs/dbraw/zinc/59/94/30/553599430.db2.gz QRHCEEKZLFJCMD-IZLXSDGUSA-N 1 0 507.675 4.559 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155555 553599797 /nfs/dbraw/zinc/59/97/97/553599797.db2.gz XVKIIKDIANGNBB-XZWHSSHBSA-N 1 0 531.697 4.798 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155557 553599730 /nfs/dbraw/zinc/59/97/30/553599730.db2.gz XVKIIKDIANGNBB-KYJUHHDHSA-N 1 0 531.697 4.798 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155558 553599782 /nfs/dbraw/zinc/59/97/82/553599782.db2.gz XVKIIKDIANGNBB-LOYHVIPDSA-N 1 0 531.697 4.798 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155560 553599710 /nfs/dbraw/zinc/59/97/10/553599710.db2.gz XVKIIKDIANGNBB-IHLOFXLRSA-N 1 0 531.697 4.798 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155562 553599752 /nfs/dbraw/zinc/59/97/52/553599752.db2.gz MGEXSYQNKDYULA-XZWHSSHBSA-N 1 0 531.697 4.798 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155564 553599794 /nfs/dbraw/zinc/59/97/94/553599794.db2.gz MGEXSYQNKDYULA-KYJUHHDHSA-N 1 0 531.697 4.798 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155566 553599768 /nfs/dbraw/zinc/59/97/68/553599768.db2.gz MGEXSYQNKDYULA-LOYHVIPDSA-N 1 0 531.697 4.798 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155568 553599716 /nfs/dbraw/zinc/59/97/16/553599716.db2.gz MGEXSYQNKDYULA-IHLOFXLRSA-N 1 0 531.697 4.798 50 0 KJAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCC[N@H+](C)CCc4ccccc4)cc3N(C)C2=O)cc1 ZINC000020179655 553603462 /nfs/dbraw/zinc/60/34/62/553603462.db2.gz SFQPNERGBMQNBG-ZXVVBBHZSA-N 1 0 501.652 4.709 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000020180972 553604196 /nfs/dbraw/zinc/60/41/96/553604196.db2.gz WXAQHMLFVLJRRB-VZMFNRANSA-N 1 0 500.462 4.529 50 0 KJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000020180974 553604236 /nfs/dbraw/zinc/60/42/36/553604236.db2.gz WXAQHMLFVLJRRB-KWJZBXMYSA-N 1 0 500.462 4.529 50 0 KJAARO Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc12 ZINC000020183145 553604887 /nfs/dbraw/zinc/60/48/87/553604887.db2.gz WDQZCZGSXJORCA-UHFFFAOYSA-N 1 0 506.695 4.781 50 0 KJAARO Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020183156 553604930 /nfs/dbraw/zinc/60/49/30/553604930.db2.gz FONBMAUVNMFGLF-UHFFFAOYSA-N 1 0 502.732 4.638 50 0 KJAARO Cc1cccc(C[NH+]2CCC(CNC(=S)Nc3ccc4nc(N5CCOCC5)cc(C)c4c3)CC2)c1 ZINC000020183209 553604837 /nfs/dbraw/zinc/60/48/37/553604837.db2.gz YVLVNNYDHVCLOJ-UHFFFAOYSA-N 1 0 503.716 4.887 50 0 KJAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1cccc(Cl)c1 ZINC000020211626 553611204 /nfs/dbraw/zinc/61/12/04/553611204.db2.gz QWMOZXYJMUEOEV-LVXARBLLSA-N 1 0 501.980 4.849 50 0 KJAARO CCn1c2ccccc2c2cc(C[NH2+][C@@H]3C[C@@H](C(=O)NCCOC)N(Cc4cccc(Cl)c4)C3)ccc21 ZINC000020234623 1067162551 /nfs/dbraw/zinc/16/25/51/1067162551.db2.gz REVCUYPCRSNJNB-GIGWZHCTSA-N 1 0 519.089 4.963 50 0 KJAARO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020239274 553624808 /nfs/dbraw/zinc/62/48/08/553624808.db2.gz ULGODYIPYHOCPC-UHFFFAOYSA-N 1 0 509.119 4.793 50 0 KJAARO CSc1ccc(-c2nc(CSCC(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c(C)o2)cc1 ZINC000020241241 553626787 /nfs/dbraw/zinc/62/67/87/553626787.db2.gz ISFMAIKQJUGLJN-UHFFFAOYSA-N 1 0 510.729 4.539 50 0 KJAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020241527 553626664 /nfs/dbraw/zinc/62/66/64/553626664.db2.gz BJKGEBIIWSRTIB-BHVANESWSA-N 1 0 507.700 4.668 50 0 KJAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020241529 553626810 /nfs/dbraw/zinc/62/68/10/553626810.db2.gz BJKGEBIIWSRTIB-PSXMRANNSA-N 1 0 507.700 4.668 50 0 KJAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242276 553627012 /nfs/dbraw/zinc/62/70/12/553627012.db2.gz WOCQJUIVOBIDKU-PGUFJCEWSA-N 1 0 510.059 4.739 50 0 KJAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O ZINC000020242278 553627074 /nfs/dbraw/zinc/62/70/74/553627074.db2.gz WOCQJUIVOBIDKU-DHUJRADRSA-N 1 0 510.059 4.739 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242296 553627079 /nfs/dbraw/zinc/62/70/79/553627079.db2.gz JDVIFCPDWXJKKX-BUFIKQNTSA-N 1 0 522.070 4.881 50 0 KJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242298 553627021 /nfs/dbraw/zinc/62/70/21/553627021.db2.gz JDVIFCPDWXJKKX-OBAIXPRGSA-N 1 0 522.070 4.881 50 0 KJAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242508 553627270 /nfs/dbraw/zinc/62/72/70/553627270.db2.gz MAXCYSMWNMNZDT-PSXMRANNSA-N 1 0 507.631 4.615 50 0 KJAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000020242510 553627266 /nfs/dbraw/zinc/62/72/66/553627266.db2.gz MAXCYSMWNMNZDT-BHVANESWSA-N 1 0 507.631 4.615 50 0 KJAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000020242596 553627532 /nfs/dbraw/zinc/62/75/32/553627532.db2.gz NXJODYQDMSJBHJ-QNGWXLTQSA-N 1 0 519.642 4.759 50 0 KJAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242598 553627565 /nfs/dbraw/zinc/62/75/65/553627565.db2.gz NXJODYQDMSJBHJ-DIPNUNPCSA-N 1 0 519.642 4.759 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242824 553627858 /nfs/dbraw/zinc/62/78/58/553627858.db2.gz DBKOKJGIBSJXSG-PSXMRANNSA-N 1 0 503.668 4.866 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000020242826 553627777 /nfs/dbraw/zinc/62/77/77/553627777.db2.gz DBKOKJGIBSJXSG-BHVANESWSA-N 1 0 503.668 4.866 50 0 KJAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000020243336 553628887 /nfs/dbraw/zinc/62/88/87/553628887.db2.gz NBVYLZJKUVNGEN-JOCHJYFZSA-N 1 0 531.678 4.532 50 0 KJAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000020243338 553628841 /nfs/dbraw/zinc/62/88/41/553628841.db2.gz NBVYLZJKUVNGEN-QFIPXVFZSA-N 1 0 531.678 4.532 50 0 KJAARO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5ccc(OC)c6ccccc56)CC4)c3C2=O)cc1 ZINC000020271402 553630703 /nfs/dbraw/zinc/63/07/03/553630703.db2.gz OBVPYZRDYHSLML-UHFFFAOYSA-N 1 0 521.617 4.975 50 0 KJAARO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCN4CC[NH+](Cc5ccccc5)CC4)cc3NC2=O)cc1 ZINC000020355350 553641420 /nfs/dbraw/zinc/64/14/20/553641420.db2.gz YHDIZICZNRIFKH-TURZUDJPSA-N 1 0 512.679 4.628 50 0 KJAARO C[C@@H](CCCC(C)(C)O)[NH2+]Cc1cc2ccc(Cl)cc2n(CCS(=O)(=O)c2ccccc2)c1=O ZINC000020362934 1067162483 /nfs/dbraw/zinc/16/24/83/1067162483.db2.gz DPPAIKKJQHXXHP-IBGZPJMESA-N 1 0 505.080 4.548 50 0 KJAARO C[C@H](CCCC(C)(C)O)[NH2+]Cc1cc2ccc(Cl)cc2n(CCS(=O)(=O)c2ccccc2)c1=O ZINC000020362936 1067162462 /nfs/dbraw/zinc/16/24/62/1067162462.db2.gz DPPAIKKJQHXXHP-LJQANCHMSA-N 1 0 505.080 4.548 50 0 KJAARO CC[NH+](CC)CCCNc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020393739 553645321 /nfs/dbraw/zinc/64/53/21/553645321.db2.gz KIDUMXRBMMBOSO-UHFFFAOYSA-N 1 0 530.764 4.793 50 0 KJAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020412407 553646903 /nfs/dbraw/zinc/64/69/03/553646903.db2.gz XESODQRWBFMKEB-PJXACDNCSA-N 1 0 500.683 4.679 50 0 biogenic KJAARO COc1ccc(-c2nn(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=S)n2C)cc1OC ZINC000020427545 553647979 /nfs/dbraw/zinc/64/79/79/553647979.db2.gz KFMNVDYWNPTLES-UHFFFAOYSA-N 1 0 515.683 5.000 50 0 KJAARO c1nn(-c2ccccc2)c2nc(N3CCOCC3)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000020463759 553656782 /nfs/dbraw/zinc/65/67/82/553656782.db2.gz XGEFISKRTGVTHI-UHFFFAOYSA-N 1 0 531.664 4.564 50 0 KJAARO CCCCOc1ccc(CNC(=O)c2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)cc1 ZINC000020464615 553656858 /nfs/dbraw/zinc/65/68/58/553656858.db2.gz GHPFJEVSKLQBGM-UHFFFAOYSA-N 1 0 522.719 4.892 50 0 KJAARO CCC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000020508656 553668094 /nfs/dbraw/zinc/66/80/94/553668094.db2.gz QCCHXAHHZYHFNY-RRPNLBNLSA-N 1 0 508.732 4.505 50 0 KJAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000020508661 553668374 /nfs/dbraw/zinc/66/83/74/553668374.db2.gz QCCHXAHHZYHFNY-KAYWLYCHSA-N 1 0 508.732 4.505 50 0 KJAARO CCC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000020508665 553668458 /nfs/dbraw/zinc/66/84/58/553668458.db2.gz QCCHXAHHZYHFNY-SVBPBHIXSA-N 1 0 508.732 4.505 50 0 KJAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000020508670 553668453 /nfs/dbraw/zinc/66/84/53/553668453.db2.gz QCCHXAHHZYHFNY-SXOMAYOGSA-N 1 0 508.732 4.505 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1 ZINC000020508880 553668395 /nfs/dbraw/zinc/66/83/95/553668395.db2.gz VWYGPXFVBQPHHE-UHFFFAOYSA-N 1 0 513.594 4.750 50 0 KJAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531281 553669858 /nfs/dbraw/zinc/66/98/58/553669858.db2.gz CONFMOZWQDHYJS-MUUNZHRXSA-N 1 0 502.058 4.936 50 0 KJAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531282 553670014 /nfs/dbraw/zinc/67/00/14/553670014.db2.gz CONFMOZWQDHYJS-NDEPHWFRSA-N 1 0 502.058 4.936 50 0 KJAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NS(=O)(=O)c5ccc(Cl)cc5)ccc4n3C)CC2)cc1 ZINC000020533426 553670702 /nfs/dbraw/zinc/67/07/02/553670702.db2.gz KGOREJQEDRVSHM-UHFFFAOYSA-N 1 0 524.090 4.701 50 0 KJAARO COc1ccc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561251 553672224 /nfs/dbraw/zinc/67/22/24/553672224.db2.gz YXWYILQXQWJVHW-HHHXNRCGSA-N 1 0 513.638 4.572 50 0 KJAARO COc1ccc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561254 553672234 /nfs/dbraw/zinc/67/22/34/553672234.db2.gz YXWYILQXQWJVHW-MHZLTWQESA-N 1 0 513.638 4.572 50 0 KJAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1cccc(Cl)c1 ZINC000020598571 1066372042 /nfs/dbraw/zinc/37/20/42/1066372042.db2.gz CAYCZYZJGTYCKQ-UPVQGACJSA-N 1 0 502.968 4.803 50 0 KJAARO COc1ccc(CCNC(=O)CC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]2N2CCOCC2)cc1 ZINC000020600242 553677241 /nfs/dbraw/zinc/67/72/41/553677241.db2.gz RTCBAZMRHVLAMH-QCENPCRXSA-N 1 0 515.698 4.510 50 0 KJAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 ZINC000020600697 1066371915 /nfs/dbraw/zinc/37/19/15/1066371915.db2.gz NRICPBXREAEFGG-OZXSUGGESA-N 1 0 501.980 4.849 50 0 KJAARO O=C(CCc1cn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc12)N1CCOCC1 ZINC000020649957 553685306 /nfs/dbraw/zinc/68/53/06/553685306.db2.gz AAXDJLWMZWXRCS-UHFFFAOYSA-N 1 0 522.693 4.797 50 0 KJAARO CN1CCN(C(=O)CCc2cn(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc23)CC1 ZINC000020650080 553685584 /nfs/dbraw/zinc/68/55/84/553685584.db2.gz AOFUHDXCHBTMJI-UHFFFAOYSA-N 1 0 535.736 4.713 50 0 KJAARO Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCC[NH+](CC(C)C)CC(C)C)nn3c2C)cc1 ZINC000020681646 553688185 /nfs/dbraw/zinc/68/81/85/553688185.db2.gz HZOSLMHPEXBTSY-UHFFFAOYSA-N 1 0 510.752 4.853 50 0 KJAARO CCOc1ccc(CCN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1OCC ZINC000020686948 553689406 /nfs/dbraw/zinc/68/94/06/553689406.db2.gz LOJQTMUNZKLHGR-SBZVUBOMSA-N 1 0 521.702 4.993 50 0 KJAARO CCOc1ccc(CCN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OCC ZINC000020686958 553689369 /nfs/dbraw/zinc/68/93/69/553689369.db2.gz LOJQTMUNZKLHGR-RLPNJSHFSA-N 1 0 521.702 4.993 50 0 KJAARO CCOc1ccc(CCN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OCC ZINC000020686963 553689238 /nfs/dbraw/zinc/68/92/38/553689238.db2.gz LOJQTMUNZKLHGR-CTWZREHQSA-N 1 0 521.702 4.993 50 0 KJAARO COc1ccc(Br)cc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020687207 553689263 /nfs/dbraw/zinc/68/92/63/553689263.db2.gz NTKCGXOOCPGPNY-HHJKRLRDSA-N 1 0 528.491 4.639 50 0 KJAARO COc1ccc(Br)cc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020687212 553689403 /nfs/dbraw/zinc/68/94/03/553689403.db2.gz NTKCGXOOCPGPNY-MPCDZSKCSA-N 1 0 528.491 4.639 50 0 KJAARO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)NCCc3ccc(Cl)cc3)CC23CCCCC3)cc1 ZINC000020687349 553689211 /nfs/dbraw/zinc/68/92/11/553689211.db2.gz ZRKXVAYMOWQNKT-UHFFFAOYSA-N 1 0 513.151 4.702 50 0 KJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Oc3ccccc32)C1 ZINC000020726077 553689912 /nfs/dbraw/zinc/68/99/12/553689912.db2.gz YDXRWCZUMZYBSW-FWOCFWLASA-N 1 0 526.475 4.700 50 0 KJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Oc3ccccc32)C1 ZINC000020726081 553690318 /nfs/dbraw/zinc/69/03/18/553690318.db2.gz YDXRWCZUMZYBSW-LZSGNZRWSA-N 1 0 526.475 4.700 50 0 KJAARO O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020726622 553690397 /nfs/dbraw/zinc/69/03/97/553690397.db2.gz YCKWZABGRYAWBN-HFTWOUSFSA-N 1 0 530.669 4.634 50 0 KJAARO CCCC[N@H+](C)CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000020727388 553690591 /nfs/dbraw/zinc/69/05/91/553690591.db2.gz VXVAIYDYXYSQNW-UHFFFAOYSA-N 1 0 537.730 4.569 50 0 KJAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728931 553691232 /nfs/dbraw/zinc/69/12/32/553691232.db2.gz DPLMFLOSKNTLPO-NHFJDJAPSA-N 1 0 516.642 4.853 50 0 KJAARO O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)NCCC[NH+]1CCCC1 ZINC000020729000 553691193 /nfs/dbraw/zinc/69/11/93/553691193.db2.gz DLCHBADIFIROPX-CJLVFECKSA-N 1 0 500.462 4.531 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000020735712 553693541 /nfs/dbraw/zinc/69/35/41/553693541.db2.gz KNIDSWRBTSFLPK-BUFIKQNTSA-N 1 0 522.070 4.881 50 0 KJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000020735717 553693553 /nfs/dbraw/zinc/69/35/53/553693553.db2.gz KNIDSWRBTSFLPK-OBAIXPRGSA-N 1 0 522.070 4.881 50 0 KJAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3NC2=O)cc1OC ZINC000020736452 553693792 /nfs/dbraw/zinc/69/37/92/553693792.db2.gz KDXPYSBRWHAMQQ-HVTSHWOYSA-N 1 0 509.672 4.887 50 0 KJAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3NC2=O)cc1OC ZINC000020736456 553693735 /nfs/dbraw/zinc/69/37/35/553693735.db2.gz KDXPYSBRWHAMQQ-XKMGHJTCSA-N 1 0 509.672 4.887 50 0 KJAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3NC2=O)cc1OC ZINC000020736460 553693805 /nfs/dbraw/zinc/69/38/05/553693805.db2.gz KDXPYSBRWHAMQQ-NCBONNPESA-N 1 0 509.672 4.887 50 0 KJAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737246 553694258 /nfs/dbraw/zinc/69/42/58/553694258.db2.gz OTAQHFRTQRYDPN-RRAHZORUSA-N 1 0 512.679 4.710 50 0 KJAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737298 553694323 /nfs/dbraw/zinc/69/43/23/553694323.db2.gz KGRICGQXRVELJB-OOAXWGSJSA-N 1 0 504.700 4.842 50 0 KJAARO CCCCNS(=O)(=O)c1ccc2nc(-c3cccs3)cc(C(=O)NCCC[NH+](CC)CC)c2c1 ZINC000020737639 553694632 /nfs/dbraw/zinc/69/46/32/553694632.db2.gz MHUWECAHULKHHW-UHFFFAOYSA-N 1 0 502.706 4.503 50 0 KJAARO CC(C)CN1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000020776300 1066376108 /nfs/dbraw/zinc/37/61/08/1066376108.db2.gz HNMZLPQMAXZGFK-OFSOJUDTSA-N 1 0 503.662 4.952 50 0 KJAARO CCc1ccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCC[NH+]4CCCCCC4)cc3)oc2C)cc1 ZINC000020864249 553700478 /nfs/dbraw/zinc/70/04/78/553700478.db2.gz JGBNEJGINQSJLN-UHFFFAOYSA-N 1 0 509.672 4.792 50 0 KJAARO CC[N@H+](CCCNC(=O)CCC(=O)N1Cc2cccc(OC)c2Oc2ncccc21)Cc1ccccc1 ZINC000020864625 553700472 /nfs/dbraw/zinc/70/04/72/553700472.db2.gz CDCAAQWEFIQTHR-UHFFFAOYSA-N 1 0 502.615 4.538 50 0 KJAARO Cc1cccc(N2CC[N@H+](CCCNC(=O)CCN3c4ccccc4Sc4ncccc4C3=O)[C@H](C)C2)c1 ZINC000020864653 553700794 /nfs/dbraw/zinc/70/07/94/553700794.db2.gz LSHPKWRBIQDLEF-HSZRJFAPSA-N 1 0 529.710 4.609 50 0 KJAARO Cc1cccc(N2CC[N@H+](CCCNC(=O)CCN3c4ccccc4Sc4ncccc4C3=O)[C@@H](C)C2)c1 ZINC000020864658 553700747 /nfs/dbraw/zinc/70/07/47/553700747.db2.gz LSHPKWRBIQDLEF-QHCPKHFHSA-N 1 0 529.710 4.609 50 0 KJAARO 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50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc(C)cc1)C3=O ZINC000020918430 553703913 /nfs/dbraw/zinc/70/39/13/553703913.db2.gz RHSOWJPITATGPL-MKVNITDJSA-N 1 0 530.713 4.857 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc(C)cc1)C3=O ZINC000020918437 553703864 /nfs/dbraw/zinc/70/38/64/553703864.db2.gz RHSOWJPITATGPL-XNSHOJTPSA-N 1 0 530.713 4.857 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1ccc(C)cc1)C3=O ZINC000020918444 553703888 /nfs/dbraw/zinc/70/38/88/553703888.db2.gz RHSOWJPITATGPL-GOFIJKOKSA-N 1 0 530.713 4.857 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccs1)C3=O ZINC000020918550 553703879 /nfs/dbraw/zinc/70/38/79/553703879.db2.gz DIOVFGGNJGUXMJ-HNMNOHOESA-N 1 0 522.715 4.610 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccs1)C3=O ZINC000020918557 553703908 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CUTLJIPORWZTQO-IKBQMQIHSA-N 1 0 516.686 4.549 50 0 KJAARO COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020918661 553704248 /nfs/dbraw/zinc/70/42/48/553704248.db2.gz CUTLJIPORWZTQO-CEFNRUSXSA-N 1 0 516.686 4.549 50 0 KJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc(F)cc2)C1 ZINC000020918698 553704177 /nfs/dbraw/zinc/70/41/77/553704177.db2.gz XPNXMMHWWURFED-NPKFRGRUSA-N 1 0 504.650 4.679 50 0 KJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc(F)cc2)C1 ZINC000020918706 553704252 /nfs/dbraw/zinc/70/42/52/553704252.db2.gz XPNXMMHWWURFED-VDZJOXJSSA-N 1 0 504.650 4.679 50 0 KJAARO CCOc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020918727 553704232 /nfs/dbraw/zinc/70/42/32/553704232.db2.gz LDEHHPIHFDJZQO-XNSHOJTPSA-N 1 0 530.713 4.939 50 0 KJAARO CCOc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020918734 553704220 /nfs/dbraw/zinc/70/42/20/553704220.db2.gz LDEHHPIHFDJZQO-MKVNITDJSA-N 1 0 530.713 4.939 50 0 KJAARO CCOc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020918752 553704218 /nfs/dbraw/zinc/70/42/18/553704218.db2.gz LDEHHPIHFDJZQO-GOFIJKOKSA-N 1 0 530.713 4.939 50 0 KJAARO COc1ccccc1N1CC[NH+](CCCN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)CC1 ZINC000020988758 553705362 /nfs/dbraw/zinc/70/53/62/553705362.db2.gz ALHKMPHIIXLELX-HHHXNRCGSA-N 1 0 501.606 4.776 50 0 KJAARO COc1ccccc1N1CC[NH+](CCCN[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)CC1 ZINC000020988761 553705413 /nfs/dbraw/zinc/70/54/13/553705413.db2.gz ALHKMPHIIXLELX-MHZLTWQESA-N 1 0 501.606 4.776 50 0 KJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000020991908 1066395117 /nfs/dbraw/zinc/39/51/17/1066395117.db2.gz WIQOWBNZMFKVBA-ZCYQVOJMSA-N 1 0 525.571 4.526 50 0 KJAARO O=C(C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000021158756 553708031 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553716828 /nfs/dbraw/zinc/71/68/28/553716828.db2.gz JAZRAKBFUUDGNP-NPKFRGRUSA-N 1 0 508.707 4.681 50 0 KJAARO C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021858252 553718367 /nfs/dbraw/zinc/71/83/67/553718367.db2.gz DDZXBADWEUTPOA-YTTGMZPUSA-N 1 0 506.650 4.837 50 0 KJAARO C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021858257 553718681 /nfs/dbraw/zinc/71/86/81/553718681.db2.gz DDZXBADWEUTPOA-JGCGQSQUSA-N 1 0 506.650 4.837 50 0 KJAARO CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)NC4CC[NH+](Cc5ccccc5)CC4)[nH]c(=O)c32)C1 ZINC000021882596 553720254 /nfs/dbraw/zinc/72/02/54/553720254.db2.gz IUAMIWAQVNIUED-HXUWFJFHSA-N 1 0 506.716 4.849 50 0 KJAARO CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)NC4CC[NH+](Cc5ccccc5)CC4)[nH]c(=O)c32)C1 ZINC000021882597 553720165 /nfs/dbraw/zinc/72/01/65/553720165.db2.gz IUAMIWAQVNIUED-FQEVSTJZSA-N 1 0 506.716 4.849 50 0 KJAARO COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000022010579 553722926 /nfs/dbraw/zinc/72/29/26/553722926.db2.gz CNPVJJQCETWNEU-CYFREDJKSA-N 1 0 533.639 4.501 50 0 investigational KJAARO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)c(Br)c1 ZINC000022790069 553750298 /nfs/dbraw/zinc/75/02/98/553750298.db2.gz HJDHUGAQFNZGOY-RUZDIDTESA-N 1 0 518.455 4.797 50 0 KJAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022918541 553766842 /nfs/dbraw/zinc/76/68/42/553766842.db2.gz WUMZIZZVYAPIHK-UHFFFAOYSA-N 1 0 517.029 4.954 50 0 KJAARO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022920734 553767137 /nfs/dbraw/zinc/76/71/37/553767137.db2.gz LXMKLZPLLGHRAG-UHFFFAOYSA-N 1 0 519.667 4.782 50 0 KJAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000022930055 553767694 /nfs/dbraw/zinc/76/76/94/553767694.db2.gz YPJXHMLVZYAVDM-UHFFFAOYSA-N 1 0 524.621 4.679 50 0 KJAARO Cc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CCN3CCOCC3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000022939041 553768186 /nfs/dbraw/zinc/76/81/86/553768186.db2.gz ZOIFEHFGPJGZLB-NRFANRHFSA-N 1 0 526.747 4.629 50 0 KJAARO Cc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CCN3CCOCC3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000022939044 553768160 /nfs/dbraw/zinc/76/81/60/553768160.db2.gz ZOIFEHFGPJGZLB-OAQYLSRUSA-N 1 0 526.747 4.629 50 0 KJAARO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000022947464 553768380 /nfs/dbraw/zinc/76/83/80/553768380.db2.gz HUPYQMLQKXCLRB-BRPDVVIDSA-N 1 0 544.696 4.873 50 0 KJAARO C[NH+]1CCN(CCCNC(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000022952259 553768668 /nfs/dbraw/zinc/76/86/68/553768668.db2.gz CVNFAHUWZOMTIY-ANYBSYGZSA-N 1 0 544.696 4.873 50 0 KJAARO CC[NH+]1CCN(CCNC(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000022952262 553768683 /nfs/dbraw/zinc/76/86/83/553768683.db2.gz LKWNQQVTFQKJHY-ANYBSYGZSA-N 1 0 544.696 4.873 50 0 KJAARO C[NH+]1CCN(CCCNC(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccc(F)cc4)C3=O)cc2)CC1 ZINC000022952264 553768648 /nfs/dbraw/zinc/76/86/48/553768648.db2.gz MARWGYIDDCFJRT-ANYBSYGZSA-N 1 0 544.696 4.873 50 0 KJAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)[NH+]1CCCC1 ZINC000023079049 553769866 /nfs/dbraw/zinc/76/98/66/553769866.db2.gz FRNUVKBVOALBDF-RUZDIDTESA-N 1 0 511.619 4.510 50 0 KJAARO COc1ccccc1[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)[NH+]1CCCC1 ZINC000023079051 553769906 /nfs/dbraw/zinc/76/99/06/553769906.db2.gz FRNUVKBVOALBDF-VWLOTQADSA-N 1 0 511.619 4.510 50 0 KJAARO C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O)c1cccs1 ZINC000023158450 553771352 /nfs/dbraw/zinc/77/13/52/553771352.db2.gz FGPBRUQJDUIXJD-JOCHJYFZSA-N 1 0 512.679 4.835 50 0 KJAARO C[C@H](NC(=O)c1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O)c1cccs1 ZINC000023158452 553771292 /nfs/dbraw/zinc/77/12/92/553771292.db2.gz FGPBRUQJDUIXJD-QFIPXVFZSA-N 1 0 512.679 4.835 50 0 KJAARO CC(C)[N@@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N2CCC(C)CC2)C1 ZINC000023339537 553774370 /nfs/dbraw/zinc/77/43/70/553774370.db2.gz TWNPEXXIVCETRS-JYFHCDHNSA-N 1 0 508.673 4.965 50 0 KJAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)c(OC)c1 ZINC000023359033 1066247670 /nfs/dbraw/zinc/24/76/70/1066247670.db2.gz GIEGTGPBJIQPFU-IGKIAQTJSA-N 1 0 526.052 4.588 50 0 KJAARO CC(C)CN1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000023360182 1066245710 /nfs/dbraw/zinc/24/57/10/1066245710.db2.gz SOMXPJPMDZBFKW-OFSOJUDTSA-N 1 0 503.662 4.952 50 0 KJAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccc(Cl)cc1 ZINC000023361461 1066246756 /nfs/dbraw/zinc/24/67/56/1066246756.db2.gz LGQZZBMNIHBMFV-UPVQGACJSA-N 1 0 502.968 4.803 50 0 KJAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000023362331 553774820 /nfs/dbraw/zinc/77/48/20/553774820.db2.gz NBSOJOOWJFGPOR-UHFFFAOYSA-N 1 0 515.551 4.954 50 0 KJAARO CC(C)N1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C[C@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023362679 553774797 /nfs/dbraw/zinc/77/47/97/553774797.db2.gz PDGAHTPGUZPHTR-IFZKCBSYSA-N 1 0 518.668 4.620 50 0 KJAARO CCOc1ccccc1N1CC[NH+](Cc2cc3cc4c(cc3n(Cc3cccc(F)c3)c2=O)OCO4)CC1 ZINC000023367044 553774740 /nfs/dbraw/zinc/77/47/40/553774740.db2.gz RVXFOFZJRSVLJV-UHFFFAOYSA-N 1 0 515.585 4.639 50 0 KJAARO CC(C)[NH2+][C@@H]1C[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)N(Cc2ccccc2Cl)C1 ZINC000023373996 553774712 /nfs/dbraw/zinc/77/47/12/553774712.db2.gz PNJHIPDAONERBA-QPPBQGQZSA-N 1 0 509.016 4.649 50 0 KJAARO CCOC(=O)CCC(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023425803 553775071 /nfs/dbraw/zinc/77/50/71/553775071.db2.gz NBSKXPDYVSIAMB-UHFFFAOYSA-N 1 0 516.564 4.833 50 0 KJAARO CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cc2)n1 ZINC000023449628 553781712 /nfs/dbraw/zinc/78/17/12/553781712.db2.gz JDQMRORNWMTOJP-NRFANRHFSA-N 1 0 506.647 4.965 50 0 KJAARO CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cc2)n1 ZINC000023449631 553781710 /nfs/dbraw/zinc/78/17/10/553781710.db2.gz JDQMRORNWMTOJP-OAQYLSRUSA-N 1 0 506.647 4.965 50 0 KJAARO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccccc4N4CC[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000025184968 553806087 /nfs/dbraw/zinc/80/60/87/553806087.db2.gz JBJYBMJNDUNNLP-GRKNLSHJSA-N 1 0 508.622 4.519 50 0 KJAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccccc4N4CC[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000025184975 553806024 /nfs/dbraw/zinc/80/60/24/553806024.db2.gz JBJYBMJNDUNNLP-MVSFAKPFSA-N 1 0 508.622 4.519 50 0 KJAARO COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCC[NH+]2CCC(c3cccc(OC)c3)CC2)c1 ZINC000027088632 553825222 /nfs/dbraw/zinc/82/52/22/553825222.db2.gz WMYSXJSJXZFODY-UHFFFAOYSA-N 1 0 590.721 4.667 50 0 in-vivo KJAARO O=S1(=O)N[C@@]2(CN1CC(F)(F)F)[C@@H]1CC[C@H]2Cc2ccc(/C=C/C[NH+]3CCC(C(F)(F)F)CC3)cc2C1 ZINC000028526589 553842515 /nfs/dbraw/zinc/84/25/15/553842515.db2.gz NKHUILHBYOOZDF-NCOIWELASA-N 1 0 551.597 4.550 50 0 KJAARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)CN3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028639398 553843319 /nfs/dbraw/zinc/84/33/19/553843319.db2.gz YYUUAXZMRDLMNI-NDEPHWFRSA-N 1 0 541.692 4.732 50 0 KJAARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)CN3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028639401 553843278 /nfs/dbraw/zinc/84/32/78/553843278.db2.gz YYUUAXZMRDLMNI-MUUNZHRXSA-N 1 0 541.692 4.732 50 0 KJAARO Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000028704875 553843524 /nfs/dbraw/zinc/84/35/24/553843524.db2.gz QAGYKUNXZHXKMR-QTYFXCGKSA-N 1 0 567.796 4.748 50 0 KJAARO COc1cccc2c1[C@@H]1C[N@H+](CCCCn3c(=O)[nH]c4c5nc(-c6ccccc6)cnc5sc4c3=O)C[C@@H]1CO2 ZINC000029747110 553846734 /nfs/dbraw/zinc/84/67/34/553846734.db2.gz WDTAYDBPNYFWDR-WOJBJXKFSA-N 1 0 555.660 4.671 50 0 aggregator,investigational KJAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000029749064 553851026 /nfs/dbraw/zinc/85/10/26/553851026.db2.gz DZHLJYMOQCOYLT-CFRBSIFHSA-N 1 0 532.065 4.613 50 0 KJAARO CCCC[N@H+](CCCNC(=O)C[S@@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C)Cc1ccccc1 ZINC000029749380 553851927 /nfs/dbraw/zinc/85/19/27/553851927.db2.gz MDRPGQVNNRMKNB-KXQOOQHDSA-N 1 0 541.714 4.725 50 0 KJAARO CCCC[N@H+](CCCNC(=O)C[S@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C)Cc1ccccc1 ZINC000029749383 553851941 /nfs/dbraw/zinc/85/19/41/553851941.db2.gz MDRPGQVNNRMKNB-LHEWISCISA-N 1 0 541.714 4.725 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000029752513 553853366 /nfs/dbraw/zinc/85/33/66/553853366.db2.gz OGTXQGWCGVKKBD-IOWSJCHKSA-N 1 0 575.706 4.660 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000029752515 553853809 /nfs/dbraw/zinc/85/38/09/553853809.db2.gz OGTXQGWCGVKKBD-FIRIVFDPSA-N 1 0 575.706 4.660 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752582 553853839 /nfs/dbraw/zinc/85/38/39/553853839.db2.gz HZCSRCVVKNMIKL-JHOUSYSJSA-N 1 0 600.735 4.788 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752584 553853802 /nfs/dbraw/zinc/85/38/02/553853802.db2.gz HZCSRCVVKNMIKL-LQJZCPKCSA-N 1 0 600.735 4.788 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752586 553853721 /nfs/dbraw/zinc/85/37/21/553853721.db2.gz HZCSRCVVKNMIKL-CZNDPXEESA-N 1 0 600.735 4.788 50 0 KJAARO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752588 553853781 /nfs/dbraw/zinc/85/37/81/553853781.db2.gz HZCSRCVVKNMIKL-SAIUNTKASA-N 1 0 600.735 4.788 50 0 KJAARO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3ccc(Cl)cc3)C2)c1 ZINC000032507827 553868645 /nfs/dbraw/zinc/86/86/45/553868645.db2.gz NTAPIOKWMANVKQ-SVBPBHIXSA-N 1 0 520.073 4.777 50 0 KJAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1cccc(Cl)c1 ZINC000032523833 1066481693 /nfs/dbraw/zinc/48/16/93/1066481693.db2.gz YOISIDPICKCKBQ-NVQXNPDNSA-N 1 0 501.980 4.849 50 0 KJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CN1Cc1ccccc1 ZINC000032533073 1066481613 /nfs/dbraw/zinc/48/16/13/1066481613.db2.gz UHTFBAKHIHZJDD-DQEYMECFSA-N 1 0 525.571 4.526 50 0 KJAARO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)c1 ZINC000032541575 1066197068 /nfs/dbraw/zinc/19/70/68/1066197068.db2.gz FDWYRAKAOQKJGJ-SXOMAYOGSA-N 1 0 520.073 4.777 50 0 KJAARO CC(C)N1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032541645 1066481627 /nfs/dbraw/zinc/48/16/27/1066481627.db2.gz BOLNXVKNAMCOIZ-IGKIAQTJSA-N 1 0 501.627 4.507 50 0 KJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1Cc1ccccc1 ZINC000032558353 1066497000 /nfs/dbraw/zinc/49/70/00/1066497000.db2.gz OTHYUPFCRJPMFG-DQEYMECFSA-N 1 0 525.571 4.526 50 0 KJAARO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)c1 ZINC000032573368 1066481565 /nfs/dbraw/zinc/48/15/65/1066481565.db2.gz FDWYRAKAOQKJGJ-SVBPBHIXSA-N 1 0 520.073 4.777 50 0 KJAARO COc1cccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)c1OC ZINC000032573403 553869248 /nfs/dbraw/zinc/86/92/48/553869248.db2.gz FSUWOWYLMACPBK-AHWVRZQESA-N 1 0 526.052 4.588 50 0 KJAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CN1Cc1cccc(Cl)c1 ZINC000032576293 1066481703 /nfs/dbraw/zinc/48/17/03/1066481703.db2.gz QCLNAWGFBBCYHR-ZEQRLZLVSA-N 1 0 502.968 4.803 50 0 KJAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1Cc1ccc(Cl)cc1 ZINC000032582037 1066481582 /nfs/dbraw/zinc/48/15/82/1066481582.db2.gz UNZZSYXGNXMXIG-ZEQRLZLVSA-N 1 0 502.968 4.803 50 0 KJAARO CC(C)N1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032586982 553869648 /nfs/dbraw/zinc/86/96/48/553869648.db2.gz BOLNXVKNAMCOIZ-SQHAQQRYSA-N 1 0 501.627 4.507 50 0 KJAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1cccc(Cl)c1 ZINC000032587178 1066481496 /nfs/dbraw/zinc/48/14/96/1066481496.db2.gz FRMIIXNSCVZUBP-OZXSUGGESA-N 1 0 501.980 4.849 50 0 KJAARO COc1ccc2ccccc2c1C[NH2+][C@H]1C[C@@H](C(=O)NCc2cccnc2)N(C/C=C/c2ccccc2)C1 ZINC000032587399 1066497632 /nfs/dbraw/zinc/49/76/32/1066497632.db2.gz FAZPMNMGNVDHEZ-WHXDXNHGSA-N 1 0 506.650 4.806 50 0 KJAARO COc1ccc([C@@H](CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000032969121 553882797 /nfs/dbraw/zinc/88/27/97/553882797.db2.gz PRMCCKSXJPSNDZ-DNQXCXABSA-N 1 0 504.096 4.544 50 0 KJAARO COc1ccc([C@H](CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000032969123 553882782 /nfs/dbraw/zinc/88/27/82/553882782.db2.gz PRMCCKSXJPSNDZ-RPWUZVMVSA-N 1 0 504.096 4.544 50 0 KJAARO COc1ccc([C@@H](CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000032969125 553882844 /nfs/dbraw/zinc/88/28/44/553882844.db2.gz PRMCCKSXJPSNDZ-BJKOFHAPSA-N 1 0 504.096 4.544 50 0 KJAARO COc1ccc([C@H](CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000032969127 553882805 /nfs/dbraw/zinc/88/28/05/553882805.db2.gz PRMCCKSXJPSNDZ-ZEQRLZLVSA-N 1 0 504.096 4.544 50 0 KJAARO COc1ccc([C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)[NH+]2CCCC2)cc1 ZINC000033023399 553888556 /nfs/dbraw/zinc/88/85/56/553888556.db2.gz IPLYZFWUNYFCAR-AREMUKBSSA-N 1 0 511.619 4.510 50 0 KJAARO COc1ccc([C@H](CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)[NH+]2CCCC2)cc1 ZINC000033023401 553888573 /nfs/dbraw/zinc/88/85/73/553888573.db2.gz IPLYZFWUNYFCAR-SANMLTNESA-N 1 0 511.619 4.510 50 0 KJAARO COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)[NH+]2CCCC2)cc1 ZINC000033023409 553888882 /nfs/dbraw/zinc/88/88/82/553888882.db2.gz BZVJZFXUSUWMAO-HHHXNRCGSA-N 1 0 507.656 4.680 50 0 KJAARO COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)[NH+]2CCCC2)cc1 ZINC000033023412 553888857 /nfs/dbraw/zinc/88/88/57/553888857.db2.gz BZVJZFXUSUWMAO-MHZLTWQESA-N 1 0 507.656 4.680 50 0 KJAARO COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)[NH+]2CCCCC2)cc1 ZINC000033026000 553890360 /nfs/dbraw/zinc/89/03/60/553890360.db2.gz KQMSJWDYXLDNDA-AREMUKBSSA-N 1 0 511.619 4.592 50 0 KJAARO COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)[NH+]2CCCCC2)cc1 ZINC000033026003 553890368 /nfs/dbraw/zinc/89/03/68/553890368.db2.gz KQMSJWDYXLDNDA-SANMLTNESA-N 1 0 511.619 4.592 50 0 KJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000033026971 553890653 /nfs/dbraw/zinc/89/06/53/553890653.db2.gz URDRIRMZCBLBOX-UHFFFAOYSA-N 1 0 512.075 4.950 50 0 KJAARO O=C(Nc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1)c1nnc(COc2ccc(Cl)cc2)s1 ZINC000033027142 553890563 /nfs/dbraw/zinc/89/05/63/553890563.db2.gz YZYZPIFTSNSPQQ-UHFFFAOYSA-N 1 0 514.051 4.629 50 0 KJAARO O=C(Nc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1)c1nnc(COc2ccc(Cl)cc2)s1 ZINC000033027143 553890721 /nfs/dbraw/zinc/89/07/21/553890721.db2.gz LJYOXNJRZAEJRL-UHFFFAOYSA-N 1 0 514.051 4.629 50 0 KJAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027146 553890553 /nfs/dbraw/zinc/89/05/53/553890553.db2.gz KTKACLMHWUTPGK-QGZVFWFLSA-N 1 0 514.051 4.627 50 0 KJAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027147 553890752 /nfs/dbraw/zinc/89/07/52/553890752.db2.gz KTKACLMHWUTPGK-KRWDZBQOSA-N 1 0 514.051 4.627 50 0 KJAARO C[C@@H](CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1)[NH+]1CCCC1 ZINC000033027160 553891130 /nfs/dbraw/zinc/89/11/30/553891130.db2.gz WWANCWADJFVKEC-KRWDZBQOSA-N 1 0 514.051 4.627 50 0 KJAARO C[C@H](CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1)[NH+]1CCCC1 ZINC000033027162 553891083 /nfs/dbraw/zinc/89/10/83/553891083.db2.gz WWANCWADJFVKEC-QGZVFWFLSA-N 1 0 514.051 4.627 50 0 KJAARO O=C(Nc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)c1nnc(COc2ccc(Cl)cc2)s1 ZINC000033027932 553891133 /nfs/dbraw/zinc/89/11/33/553891133.db2.gz LLVACXDVANFBKT-UHFFFAOYSA-N 1 0 514.051 4.629 50 0 KJAARO C[C@@H](CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1)[NH+]1CCCC1 ZINC000033027937 553890968 /nfs/dbraw/zinc/89/09/68/553890968.db2.gz WWZHLGJYEUYMTM-KRWDZBQOSA-N 1 0 514.051 4.627 50 0 KJAARO C[C@H](CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1)[NH+]1CCCC1 ZINC000033027938 553891079 /nfs/dbraw/zinc/89/10/79/553891079.db2.gz WWZHLGJYEUYMTM-QGZVFWFLSA-N 1 0 514.051 4.627 50 0 KJAARO C[N@H+](CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1)Cc1ccccc1 ZINC000033027989 553890958 /nfs/dbraw/zinc/89/09/58/553890958.db2.gz YMZYSXBJNLKVBF-UHFFFAOYSA-N 1 0 515.639 4.621 50 0 KJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027990 553891000 /nfs/dbraw/zinc/89/10/00/553891000.db2.gz HSOOUNVQZQTLMN-JOCHJYFZSA-N 1 0 507.660 4.754 50 0 KJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027991 553890939 /nfs/dbraw/zinc/89/09/39/553890939.db2.gz HSOOUNVQZQTLMN-QFIPXVFZSA-N 1 0 507.660 4.754 50 0 KJAARO C[N@H+](CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1)C1CCCCC1 ZINC000033028002 553891108 /nfs/dbraw/zinc/89/11/08/553891108.db2.gz DEIGTZXSJXKJAT-UHFFFAOYSA-N 1 0 507.660 4.754 50 0 KJAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1ccccc1 ZINC000033028928 553891408 /nfs/dbraw/zinc/89/14/08/553891408.db2.gz SHJKAJIHEPKBSJ-QFIPXVFZSA-N 1 0 505.612 4.835 50 0 KJAARO C[NH+](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1ccccc1 ZINC000033028930 553891245 /nfs/dbraw/zinc/89/12/45/553891245.db2.gz SHJKAJIHEPKBSJ-JOCHJYFZSA-N 1 0 505.612 4.835 50 0 KJAARO CCCCN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000033033226 553892194 /nfs/dbraw/zinc/89/21/94/553892194.db2.gz YSWPRYBUVIMCIX-UHFFFAOYSA-N 1 0 512.720 4.817 50 0 KJAARO CC(C)CN(CC(C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000033033385 553892686 /nfs/dbraw/zinc/89/26/86/553892686.db2.gz GJXVFKYKQVQFPU-UHFFFAOYSA-N 1 0 514.736 4.775 50 0 KJAARO CCCc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033619 553893033 /nfs/dbraw/zinc/89/30/33/553893033.db2.gz XYVBEUQVAIKLBY-UHFFFAOYSA-N 1 0 514.736 4.604 50 0 KJAARO COc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000033252320 553913927 /nfs/dbraw/zinc/91/39/27/553913927.db2.gz KZBYELXDHWMRJC-UHFFFAOYSA-N 1 0 501.656 4.606 50 0 KJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccc(Cl)cc2)C1 ZINC000033315119 553920658 /nfs/dbraw/zinc/92/06/58/553920658.db2.gz VEFCTODYUJSSDH-NCXSOUSFSA-N 1 0 511.066 4.787 50 0 KJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccc(Cl)cc2)C1 ZINC000033315121 553920617 /nfs/dbraw/zinc/92/06/17/553920617.db2.gz VEFCTODYUJSSDH-NKQBKRSGSA-N 1 0 511.066 4.787 50 0 KJAARO O=C(c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354949 553932676 /nfs/dbraw/zinc/93/26/76/553932676.db2.gz PEJYZEIQQHOZSR-UHFFFAOYSA-N 1 0 553.585 4.870 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1 ZINC000033356054 553938575 /nfs/dbraw/zinc/93/85/75/553938575.db2.gz WZIARCGWZVPAGD-UHFFFAOYSA-N 1 0 576.672 4.793 50 0 KJAARO O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1nnc(-c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)o1 ZINC000033356159 553939552 /nfs/dbraw/zinc/93/95/52/553939552.db2.gz HLBVPWUPMMHNQM-UHFFFAOYSA-N 1 0 557.098 4.500 50 0 KJAARO COc1ccc(-n2nc(C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000033356344 553940574 /nfs/dbraw/zinc/94/05/74/553940574.db2.gz DSKBLABPUOKCKX-UHFFFAOYSA-N 1 0 549.675 4.836 50 0 KJAARO Cn1c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000033356352 553940962 /nfs/dbraw/zinc/94/09/62/553940962.db2.gz MZQPLOUHACSJKU-UHFFFAOYSA-N 1 0 603.554 4.696 50 0 KJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000033356449 553941754 /nfs/dbraw/zinc/94/17/54/553941754.db2.gz DGQIYKOYOXXCOL-FGZHOGPDSA-N 1 0 563.695 4.917 50 0 KJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000033356450 553941766 /nfs/dbraw/zinc/94/17/66/553941766.db2.gz DGQIYKOYOXXCOL-SZPZYZBQSA-N 1 0 563.695 4.917 50 0 KJAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000033356451 553941725 /nfs/dbraw/zinc/94/17/25/553941725.db2.gz DGQIYKOYOXXCOL-VXKWHMMOSA-N 1 0 563.695 4.917 50 0 KJAARO COc1ccc(-c2cc3nc(C)c(CCC(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)c(C)n3n2)c(OC)c1 ZINC000033356461 553941709 /nfs/dbraw/zinc/94/17/09/553941709.db2.gz WYQJMUQTEQDABU-UHFFFAOYSA-N 1 0 591.156 4.945 50 0 KJAARO CC[NH+](CC)CCCNC(=O)c1c2c(sc1-n1cccc1)CN(S(=O)(=O)c1ccc(Br)cc1)CC2 ZINC000033356715 553943989 /nfs/dbraw/zinc/94/39/89/553943989.db2.gz VXLQFSZUVKFBOC-UHFFFAOYSA-N 1 0 579.586 4.510 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000033357084 553946427 /nfs/dbraw/zinc/94/64/27/553946427.db2.gz FSEGCFHUYLDRBY-PMERELPUSA-N 1 0 617.841 4.956 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000033357086 553946401 /nfs/dbraw/zinc/94/64/01/553946401.db2.gz FSEGCFHUYLDRBY-SSEXGKCCSA-N 1 0 617.841 4.956 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000033357087 553946469 /nfs/dbraw/zinc/94/64/69/553946469.db2.gz ZWPJQDONAKWWCO-LJAQVGFWSA-N 1 0 636.218 4.896 50 0 KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000033357089 553946372 /nfs/dbraw/zinc/94/63/72/553946372.db2.gz ZWPJQDONAKWWCO-GDLZYMKVSA-N 1 0 636.218 4.896 50 0 KJAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccccc2F)o1 ZINC000033367282 553957588 /nfs/dbraw/zinc/95/75/88/553957588.db2.gz CKYLYONKTLDFIC-UHFFFAOYSA-N 1 0 505.634 4.927 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)CC(C)(C)C)cc1OC ZINC000033453040 553960741 /nfs/dbraw/zinc/96/07/41/553960741.db2.gz BDQNJMLBIFDVJH-UHFFFAOYSA-N 1 0 527.706 4.537 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)C2CCCC2)cc1OC ZINC000033498097 553961227 /nfs/dbraw/zinc/96/12/27/553961227.db2.gz FLHLWWSZCAGFEE-UHFFFAOYSA-N 1 0 539.717 4.681 50 0 KJAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccc(F)cc2)o1 ZINC000033567030 553962961 /nfs/dbraw/zinc/96/29/61/553962961.db2.gz BRNMMDYLXLZUFT-UHFFFAOYSA-N 1 0 505.634 4.927 50 0 KJAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)Cc2ccccc2)o1 ZINC000033586325 553963385 /nfs/dbraw/zinc/96/33/85/553963385.db2.gz SLOUFCCYPUDARZ-UHFFFAOYSA-N 1 0 501.671 4.717 50 0 KJAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C\c2cc(Br)ccc2OC(F)F)cc1 ZINC000033599911 1066485323 /nfs/dbraw/zinc/48/53/23/1066485323.db2.gz KVYQRUFUWTZRKX-GHXNOFRVSA-N 1 0 510.379 4.774 50 0 KJAARO COc1ccc(C(=O)N(CC[NH+]2CCCCC2)CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)cc1 ZINC000033658589 553966479 /nfs/dbraw/zinc/96/64/79/553966479.db2.gz XEUHEJILVZKCPB-UHFFFAOYSA-N 1 0 517.670 4.796 50 0 KJAARO COc1ccc(C(=O)N(CC[NH+]2CCCC2)CC(=O)N(Cc2ccc(C)s2)Cc2ccc(F)cc2)cc1 ZINC000033667780 553967050 /nfs/dbraw/zinc/96/70/50/553967050.db2.gz ZKYDDEIUQMELMO-UHFFFAOYSA-N 1 0 523.674 4.971 50 0 KJAARO Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC[NH+]1CCCC1)C(=O)c1cccs1 ZINC000033697603 553968867 /nfs/dbraw/zinc/96/88/67/553968867.db2.gz NMJURBKNXYPFKE-UHFFFAOYSA-N 1 0 525.696 4.614 50 0 KJAARO COc1ccc([C@H]2Sc3cc(OC)ccc3N(CC[NH+](C(C)C)C(C)C)C(=O)[C@H]2OC(C)=O)cc1 ZINC000033734695 553971021 /nfs/dbraw/zinc/97/10/21/553971021.db2.gz NGLKLRBCBKIBFZ-IZZNHLLZSA-N 1 0 500.661 4.934 50 0 KJAARO COc1ccc([C@@H]2Sc3cc(OC)ccc3N(CC[NH+](C(C)C)C(C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000033734696 553971018 /nfs/dbraw/zinc/97/10/18/553971018.db2.gz NGLKLRBCBKIBFZ-FTJBHMTQSA-N 1 0 500.661 4.934 50 0 KJAARO COc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000034679669 553984219 /nfs/dbraw/zinc/98/42/19/553984219.db2.gz DDXBTTOPBMESLO-UHFFFAOYSA-N 1 0 503.618 4.826 50 0 KJAARO COc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)c1 ZINC000034680037 553984225 /nfs/dbraw/zinc/98/42/25/553984225.db2.gz IVUXYZPKURBCDY-UHFFFAOYSA-N 1 0 503.618 4.826 50 0 KJAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cn3)CC2)c(OC)c1OC ZINC000034681690 553985059 /nfs/dbraw/zinc/98/50/59/553985059.db2.gz ZQDJPKCPNLXLBR-UHFFFAOYSA-N 1 0 511.022 4.725 50 0 KJAARO COc1cc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cn3)CC2)ccc1O ZINC000034681778 553985147 /nfs/dbraw/zinc/98/51/47/553985147.db2.gz RHGMLTAWEVEPIH-UHFFFAOYSA-N 1 0 500.521 4.779 50 0 KJAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)Nc4ccc(F)cc4F)cn3)CC2)c(OC)c1OC ZINC000034682108 553985698 /nfs/dbraw/zinc/98/56/98/553985698.db2.gz ONPLDCYUDXGIMT-UHFFFAOYSA-N 1 0 527.572 4.742 50 0 KJAARO COc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1OC ZINC000034682836 553985663 /nfs/dbraw/zinc/98/56/63/553985663.db2.gz YKIATFILMXWNLY-UHFFFAOYSA-N 1 0 506.574 4.926 50 0 KJAARO O=C(c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1)N1CCN(Cc2ccccc2)CC1 ZINC000034684553 553986602 /nfs/dbraw/zinc/98/66/02/553986602.db2.gz GAYJJPWZDXQIED-UHFFFAOYSA-N 1 0 535.692 4.540 50 0 KJAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2)C(=O)NCC[NH+]1CCCC1 ZINC000034686364 553988421 /nfs/dbraw/zinc/98/84/21/553988421.db2.gz SARVIFZYSPXYRJ-JDXGNMNLSA-N 1 0 505.703 4.885 50 0 KJAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2)C(=O)NCC[NH+]1CCCC1 ZINC000034686365 553988356 /nfs/dbraw/zinc/98/83/56/553988356.db2.gz SARVIFZYSPXYRJ-DGPALRBDSA-N 1 0 505.703 4.885 50 0 KJAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2)C(=O)NCC[NH+]1CCCC1 ZINC000034686366 553988456 /nfs/dbraw/zinc/98/84/56/553988456.db2.gz SARVIFZYSPXYRJ-MFMCTBQISA-N 1 0 505.703 4.885 50 0 KJAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2)C(=O)NCC[NH+]1CCCC1 ZINC000034686367 553988350 /nfs/dbraw/zinc/98/83/50/553988350.db2.gz SARVIFZYSPXYRJ-PQHLKRTFSA-N 1 0 505.703 4.885 50 0 KJAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NCC[NH+]1CCCC1 ZINC000034686440 553988435 /nfs/dbraw/zinc/98/84/35/553988435.db2.gz RAHLMGWUHXXMPE-VMPREFPWSA-N 1 0 521.677 4.859 50 0 KJAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NCC[NH+]1CCCC1 ZINC000034686441 553988360 /nfs/dbraw/zinc/98/83/60/553988360.db2.gz RAHLMGWUHXXMPE-WDYNHAJCSA-N 1 0 521.677 4.859 50 0 KJAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NCC[NH+]1CCCC1 ZINC000034686442 553988375 /nfs/dbraw/zinc/98/83/75/553988375.db2.gz RAHLMGWUHXXMPE-URLMMPGGSA-N 1 0 521.677 4.859 50 0 KJAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NCC[NH+]1CCCC1 ZINC000034686443 553988441 /nfs/dbraw/zinc/98/84/41/553988441.db2.gz RAHLMGWUHXXMPE-FQLXRVMXSA-N 1 0 521.677 4.859 50 0 KJAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698091 553991207 /nfs/dbraw/zinc/99/12/07/553991207.db2.gz KNGLWBIZHGJSTK-PXDATVDWSA-N 1 0 513.560 4.985 50 0 KJAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698092 553991163 /nfs/dbraw/zinc/99/11/63/553991163.db2.gz KNGLWBIZHGJSTK-SQJMNOBHSA-N 1 0 513.560 4.985 50 0 KJAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698093 553991150 /nfs/dbraw/zinc/99/11/50/553991150.db2.gz KNGLWBIZHGJSTK-BWKNWUBXSA-N 1 0 513.560 4.985 50 0 KJAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4ccco4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698094 553991159 /nfs/dbraw/zinc/99/11/59/553991159.db2.gz KNGLWBIZHGJSTK-OFVILXPXSA-N 1 0 513.560 4.985 50 0 KJAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)[C@H](c3cccc(F)c3)C2)cc1OC ZINC000034698365 553991110 /nfs/dbraw/zinc/99/11/10/553991110.db2.gz CUMSVULOKZANCW-HOFKKMOUSA-N 1 0 521.608 4.660 50 0 KJAARO COc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1OC ZINC000034698366 553991054 /nfs/dbraw/zinc/99/10/54/553991054.db2.gz CUMSVULOKZANCW-KCWPFWIISA-N 1 0 521.608 4.660 50 0 KJAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)[C@@H](c3cccc(F)c3)C2)cc1OC ZINC000034698367 553991272 /nfs/dbraw/zinc/99/12/72/553991272.db2.gz CUMSVULOKZANCW-WNCULLNHSA-N 1 0 521.608 4.660 50 0 KJAARO COc1ccc(C(=O)N2C[C@@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)[C@@H](c3cccc(F)c3)C2)cc1OC ZINC000034698368 553991116 /nfs/dbraw/zinc/99/11/16/553991116.db2.gz CUMSVULOKZANCW-YIXXDRMTSA-N 1 0 521.608 4.660 50 0 KJAARO Cc1cccc([C@@H]2c3cc(O[C@@H](C)C(=O)NCC[NH+]4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708182 553994297 /nfs/dbraw/zinc/99/42/97/553994297.db2.gz DTMLCCRFXKVCIZ-QABMSTFYSA-N 1 0 511.666 4.762 50 0 KJAARO Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)NCC[NH+]4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708183 553994230 /nfs/dbraw/zinc/99/42/30/553994230.db2.gz DTMLCCRFXKVCIZ-NGQVCNFZSA-N 1 0 511.666 4.762 50 0 KJAARO Cc1cccc([C@@H]2c3cc(O[C@H](C)C(=O)NCC[NH+]4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708184 553994255 /nfs/dbraw/zinc/99/42/55/553994255.db2.gz DTMLCCRFXKVCIZ-AYWVHJORSA-N 1 0 511.666 4.762 50 0 KJAARO Cc1cccc([C@H]2c3cc(O[C@H](C)C(=O)NCC[NH+]4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708185 553994293 /nfs/dbraw/zinc/99/42/93/553994293.db2.gz DTMLCCRFXKVCIZ-HLADLETHSA-N 1 0 511.666 4.762 50 0 KJAARO O=C(Nc1ccccc1F)[C@@H](C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708274 553994549 /nfs/dbraw/zinc/99/45/49/553994549.db2.gz CPCDVEWQORVTOI-WXVAWEFUSA-N 1 0 510.537 4.761 50 0 KJAARO O=C(Nc1ccccc1F)[C@H](C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708275 553994594 /nfs/dbraw/zinc/99/45/94/553994594.db2.gz CPCDVEWQORVTOI-CUNXSJBXSA-N 1 0 510.537 4.761 50 0 KJAARO Cc1ccc(NC(=O)[C@@H](C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000034708276 553994610 /nfs/dbraw/zinc/99/46/10/553994610.db2.gz SRGHKSNBCVFOHT-LBNVMWSVSA-N 1 0 506.574 4.930 50 0 KJAARO Cc1ccc(NC(=O)[C@H](C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000034708277 553994501 /nfs/dbraw/zinc/99/45/01/553994501.db2.gz SRGHKSNBCVFOHT-LSYYVWMOSA-N 1 0 506.574 4.930 50 0 KJAARO Cc1cccc([C@@H]2c3cc(O[C@@H](C)C(=O)NCC[NH+]4CCCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717063 553995661 /nfs/dbraw/zinc/99/56/61/553995661.db2.gz OYPBILDIBJNNMZ-MUAVYFROSA-N 1 0 503.687 4.639 50 0 KJAARO Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)NCC[NH+]4CCCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717064 553995893 /nfs/dbraw/zinc/99/58/93/553995893.db2.gz OYPBILDIBJNNMZ-IADCTJSHSA-N 1 0 503.687 4.639 50 0 KJAARO Cc1cccc([C@@H]2c3cc(O[C@H](C)C(=O)NCC[NH+]4CCCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717065 553995860 /nfs/dbraw/zinc/99/58/60/553995860.db2.gz OYPBILDIBJNNMZ-RNWIMVQKSA-N 1 0 503.687 4.639 50 0 KJAARO Cc1cccc([C@H]2c3cc(O[C@H](C)C(=O)NCC[NH+]4CCCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717066 553995855 /nfs/dbraw/zinc/99/58/55/553995855.db2.gz OYPBILDIBJNNMZ-BTYSJIOQSA-N 1 0 503.687 4.639 50 0 KJAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000034723977 553996372 /nfs/dbraw/zinc/99/63/72/553996372.db2.gz MTANFDCNNGUNCK-UHFFFAOYSA-N 1 0 502.634 4.753 50 0 KJAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000034723981 553996383 /nfs/dbraw/zinc/99/63/83/553996383.db2.gz ODNFOXSKKZETRO-UHFFFAOYSA-N 1 0 502.634 4.753 50 0 KJAARO COc1cccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N(CC[NH+](C)C)Cc3ccccc3)CC2)c1 ZINC000034723992 553996353 /nfs/dbraw/zinc/99/63/53/553996353.db2.gz DUNMYHROUAFBQZ-UHFFFAOYSA-N 1 0 514.670 4.622 50 0 KJAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000034724721 553996328 /nfs/dbraw/zinc/99/63/28/553996328.db2.gz UMDRJDZGRBXRFJ-UHFFFAOYSA-N 1 0 539.120 4.919 50 0 KJAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000034725114 553996754 /nfs/dbraw/zinc/99/67/54/553996754.db2.gz QCTFRMPCQUKKIF-UHFFFAOYSA-N 1 0 539.120 4.919 50 0 KJAARO COc1cccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCC([NH+]4CCCCC4)CC3)CC2)c1 ZINC000034725126 553996632 /nfs/dbraw/zinc/99/66/32/553996632.db2.gz HLOSWMFEWJCYOA-UHFFFAOYSA-N 1 0 504.675 4.509 50 0 KJAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000034725134 553996649 /nfs/dbraw/zinc/99/66/49/553996649.db2.gz YLHTUZVNRWNGSP-UHFFFAOYSA-N 1 0 510.629 4.779 50 0 KJAARO COc1ccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000034725490 553996745 /nfs/dbraw/zinc/99/67/45/553996745.db2.gz QSCIZUCIFVCCNA-UHFFFAOYSA-N 1 0 503.643 4.768 50 0 KJAARO COc1ccccc1C[NH+]1CCC(c2nc(C)ccc2C(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000034725498 553996666 /nfs/dbraw/zinc/99/66/66/553996666.db2.gz KFPDFMLCVPHVJX-UHFFFAOYSA-N 1 0 503.643 4.768 50 0 KJAARO COc1ccc(CCNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc1OC ZINC000034725504 553996702 /nfs/dbraw/zinc/99/67/02/553996702.db2.gz JRZLJHOKKLNCIM-UHFFFAOYSA-N 1 0 533.669 4.777 50 0 KJAARO COc1ccc(OC)c(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000034725508 553996736 /nfs/dbraw/zinc/99/67/36/553996736.db2.gz GRTVSRHKUHMUDA-UHFFFAOYSA-N 1 0 533.669 4.777 50 0 KJAARO COc1ccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCN(c4cccc(OC)c4)CC3)CC2)cc1 ZINC000034725880 553996624 /nfs/dbraw/zinc/99/66/24/553996624.db2.gz LTTBWWOXSGHBKD-UHFFFAOYSA-N 1 0 514.670 4.749 50 0 KJAARO COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CC[NH+](Cc4ccccc4OC)CC3)CC2)c1 ZINC000034725884 553996611 /nfs/dbraw/zinc/99/66/11/553996611.db2.gz ZCAPKOPMMZRRLO-UHFFFAOYSA-N 1 0 514.670 4.749 50 0 KJAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000034729564 553997011 /nfs/dbraw/zinc/99/70/11/553997011.db2.gz FDXKMSOZFCLFRB-UHFFFAOYSA-N 1 0 520.624 4.892 50 0 KJAARO COc1cccc(CC(=O)N2CCC(c3nc(C)ccc3C(=O)N(CC[NH+](C)C)Cc3ccccc3)CC2)c1 ZINC000034729568 553997111 /nfs/dbraw/zinc/99/71/11/553997111.db2.gz BJGADOHVGJTBMC-UHFFFAOYSA-N 1 0 528.697 4.551 50 0 KJAARO COc1cc(OC)cc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000034729597 553996940 /nfs/dbraw/zinc/99/69/40/553996940.db2.gz MGMIHXHMSLGVQG-UHFFFAOYSA-N 1 0 534.701 4.518 50 0 KJAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000034729604 553997085 /nfs/dbraw/zinc/99/70/85/553997085.db2.gz XEJDQJJSBWDCPU-UHFFFAOYSA-N 1 0 510.629 4.779 50 0 KJAARO COc1cc(OC)cc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCC([NH+]4CCCCC4)CC3)CC2)c1 ZINC000034729653 553997439 /nfs/dbraw/zinc/99/74/39/553997439.db2.gz OANDCHZGSDYXAB-UHFFFAOYSA-N 1 0 534.701 4.518 50 0 KJAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000034729664 553997432 /nfs/dbraw/zinc/99/74/32/553997432.db2.gz MOJGLJMGKBLELS-UHFFFAOYSA-N 1 0 510.629 4.779 50 0 KJAARO COc1cccc(NC(=O)N2CCC(c3nc(C)ccc3C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000034729770 553997425 /nfs/dbraw/zinc/99/74/25/553997425.db2.gz SIKGZDXZRBLJDL-UHFFFAOYSA-N 1 0 519.690 4.901 50 0 KJAARO COc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000034729890 553997310 /nfs/dbraw/zinc/99/73/10/553997310.db2.gz YVQIHXBWVBBOMO-UHFFFAOYSA-N 1 0 503.643 4.768 50 0 KJAARO COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000034785980 554004001 /nfs/dbraw/zinc/00/40/01/554004001.db2.gz SITVAHRETAXPBZ-UHFFFAOYSA-N 1 0 502.541 4.756 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccc(OC)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829526 554011860 /nfs/dbraw/zinc/01/18/60/554011860.db2.gz QJIAZGZAPJIBPY-UHFFFAOYSA-N 1 0 503.691 4.559 50 0 KJAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830068 554014456 /nfs/dbraw/zinc/01/44/56/554014456.db2.gz SOPMDKDFKHWNTO-GDLZYMKVSA-N 1 0 505.659 4.528 50 0 KJAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830069 554014508 /nfs/dbraw/zinc/01/45/08/554014508.db2.gz SOPMDKDFKHWNTO-LJAQVGFWSA-N 1 0 505.659 4.528 50 0 KJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830118 554014464 /nfs/dbraw/zinc/01/44/64/554014464.db2.gz QBCOHNWRCKPACX-PBBNMVCDSA-N 1 0 505.659 4.527 50 0 KJAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830119 554014351 /nfs/dbraw/zinc/01/43/51/554014351.db2.gz QBCOHNWRCKPACX-LGGPFLRQSA-N 1 0 505.659 4.527 50 0 KJAARO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034830166 554014740 /nfs/dbraw/zinc/01/47/40/554014740.db2.gz CTEHXRQEQQCVBJ-LYZGTLIUSA-N 1 0 507.725 4.758 50 0 KJAARO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034830167 554014771 /nfs/dbraw/zinc/01/47/71/554014771.db2.gz CTEHXRQEQQCVBJ-PIKZIKFNSA-N 1 0 507.725 4.758 50 0 KJAARO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034830180 554014908 /nfs/dbraw/zinc/01/49/08/554014908.db2.gz WZYVGEXOYLSODU-WBBHLRKXSA-N 1 0 531.722 4.670 50 0 KJAARO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034830181 554014823 /nfs/dbraw/zinc/01/48/23/554014823.db2.gz WZYVGEXOYLSODU-XJFCNFDWSA-N 1 0 531.722 4.670 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830240 554014864 /nfs/dbraw/zinc/01/48/64/554014864.db2.gz FQRGDIJTEPTLQR-MUUNZHRXSA-N 1 0 507.725 4.759 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830241 554014752 /nfs/dbraw/zinc/01/47/52/554014752.db2.gz FQRGDIJTEPTLQR-NDEPHWFRSA-N 1 0 507.725 4.759 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034830244 554014781 /nfs/dbraw/zinc/01/47/81/554014781.db2.gz ROERCUKCFNFXPG-SSEXGKCCSA-N 1 0 517.695 4.534 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034830245 554014900 /nfs/dbraw/zinc/01/49/00/554014900.db2.gz ROERCUKCFNFXPG-PMERELPUSA-N 1 0 517.695 4.534 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830252 554015182 /nfs/dbraw/zinc/01/51/82/554015182.db2.gz DDYSKUAQZWGPOI-SSEXGKCCSA-N 1 0 519.686 4.837 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830253 554015376 /nfs/dbraw/zinc/01/53/76/554015376.db2.gz DDYSKUAQZWGPOI-PMERELPUSA-N 1 0 519.686 4.837 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1 ZINC000034830272 554015233 /nfs/dbraw/zinc/01/52/33/554015233.db2.gz OQAOFUTVSOTAKC-WVXBCFDCSA-N 1 0 517.695 4.532 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1 ZINC000034830273 554015318 /nfs/dbraw/zinc/01/53/18/554015318.db2.gz OQAOFUTVSOTAKC-DJUQAAIZSA-N 1 0 517.695 4.532 50 0 KJAARO CCc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830356 554015281 /nfs/dbraw/zinc/01/52/81/554015281.db2.gz HYIFNWWCDWBPAL-DFHRPNOPSA-N 1 0 501.696 4.940 50 0 KJAARO CCc1ccc(C(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830357 554015177 /nfs/dbraw/zinc/01/51/77/554015177.db2.gz HYIFNWWCDWBPAL-DWACAAAGSA-N 1 0 501.696 4.940 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034830364 554015256 /nfs/dbraw/zinc/01/52/56/554015256.db2.gz KFARHHAATVLQPD-DTIFBSDHSA-N 1 0 513.707 4.867 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830402 554015579 /nfs/dbraw/zinc/01/55/79/554015579.db2.gz PPJXBHVERXQFAG-KDYSTLNUSA-N 1 0 507.725 4.758 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830403 554015640 /nfs/dbraw/zinc/01/56/40/554015640.db2.gz PPJXBHVERXQFAG-IDISGSTGSA-N 1 0 507.725 4.758 50 0 KJAARO COc1ccc(CC(=O)N2CCCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034830412 554015621 /nfs/dbraw/zinc/01/56/21/554015621.db2.gz UUWZYDIYLQFQHI-YUDQIZAISA-N 1 0 531.722 4.705 50 0 KJAARO COc1ccc(CC(=O)N2CCCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830413 554015691 /nfs/dbraw/zinc/01/56/91/554015691.db2.gz UUWZYDIYLQFQHI-JHOBJCJYSA-N 1 0 531.722 4.705 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000034830418 554015786 /nfs/dbraw/zinc/01/57/86/554015786.db2.gz WFQMAZIXUZIYPM-KDYSTLNUSA-N 1 0 505.659 4.906 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000034830419 554015566 /nfs/dbraw/zinc/01/55/66/554015566.db2.gz WFQMAZIXUZIYPM-IDISGSTGSA-N 1 0 505.659 4.906 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830426 554015735 /nfs/dbraw/zinc/01/57/35/554015735.db2.gz SZSVCDMMIBRXBM-PZGXJGMVSA-N 1 0 519.686 4.835 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830427 554015713 /nfs/dbraw/zinc/01/57/13/554015713.db2.gz SZSVCDMMIBRXBM-ZTOMLWHTSA-N 1 0 519.686 4.835 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000034830436 554015702 /nfs/dbraw/zinc/01/57/02/554015702.db2.gz BCYZFUVJTVSGNR-QABMSTFYSA-N 1 0 531.722 4.670 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000034830437 554015540 /nfs/dbraw/zinc/01/55/40/554015540.db2.gz BCYZFUVJTVSGNR-NGQVCNFZSA-N 1 0 531.722 4.670 50 0 KJAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830450 554016010 /nfs/dbraw/zinc/01/60/10/554016010.db2.gz CIHIHTILFPPUDB-AREMUKBSSA-N 1 0 512.050 4.863 50 0 KJAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830451 554016033 /nfs/dbraw/zinc/01/60/33/554016033.db2.gz CIHIHTILFPPUDB-SANMLTNESA-N 1 0 512.050 4.863 50 0 KJAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830494 554016044 /nfs/dbraw/zinc/01/60/44/554016044.db2.gz ZTSCRNWIKIOAIX-NDEPHWFRSA-N 1 0 505.659 4.772 50 0 KJAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830495 554015978 /nfs/dbraw/zinc/01/59/78/554015978.db2.gz ZTSCRNWIKIOAIX-MUUNZHRXSA-N 1 0 505.659 4.772 50 0 KJAARO Cc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830516 554015969 /nfs/dbraw/zinc/01/59/69/554015969.db2.gz GHPIKNYQTUTXCM-KMRXNPHXSA-N 1 0 505.659 4.906 50 0 KJAARO Cc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830517 554016245 /nfs/dbraw/zinc/01/62/45/554016245.db2.gz GHPIKNYQTUTXCM-PIKZIKFNSA-N 1 0 505.659 4.906 50 0 KJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1 ZINC000034830532 554016055 /nfs/dbraw/zinc/01/60/55/554016055.db2.gz XTFCODZKEGEUJZ-WINIVTDRSA-N 1 0 511.688 4.588 50 0 KJAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1 ZINC000034830533 554016236 /nfs/dbraw/zinc/01/62/36/554016236.db2.gz XTFCODZKEGEUJZ-PPHZAIPVSA-N 1 0 511.688 4.588 50 0 KJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830548 554016169 /nfs/dbraw/zinc/01/61/69/554016169.db2.gz SMJBVKRFXXMFFP-OLILMLBXSA-N 1 0 523.649 4.666 50 0 KJAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830549 554016254 /nfs/dbraw/zinc/01/62/54/554016254.db2.gz SMJBVKRFXXMFFP-WRONEBCDSA-N 1 0 523.649 4.666 50 0 KJAARO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830578 554016474 /nfs/dbraw/zinc/01/64/74/554016474.db2.gz NALXZRDRFVCSAZ-MHZLTWQESA-N 1 0 506.647 4.910 50 0 KJAARO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830579 554016506 /nfs/dbraw/zinc/01/65/06/554016506.db2.gz NALXZRDRFVCSAZ-HHHXNRCGSA-N 1 0 506.647 4.910 50 0 KJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NC1CCCCC1 ZINC000034830582 554016692 /nfs/dbraw/zinc/01/66/92/554016692.db2.gz QEAXXCYAUKMUEJ-HRFSGMKKSA-N 1 0 512.695 4.800 50 0 KJAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NC1CCCCC1 ZINC000034830583 554016702 /nfs/dbraw/zinc/01/67/02/554016702.db2.gz QEAXXCYAUKMUEJ-DCFHFQCYSA-N 1 0 512.695 4.800 50 0 KJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NCc1ccccc1 ZINC000034830588 554016664 /nfs/dbraw/zinc/01/66/64/554016664.db2.gz GWVPYOARSCMZKI-PIKZIKFNSA-N 1 0 520.674 4.667 50 0 KJAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NCc1ccccc1 ZINC000034830589 554016486 /nfs/dbraw/zinc/01/64/86/554016486.db2.gz GWVPYOARSCMZKI-KMRXNPHXSA-N 1 0 520.674 4.667 50 0 KJAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)c1cccc(Br)c1 ZINC000034831212 554016975 /nfs/dbraw/zinc/01/69/75/554016975.db2.gz STJAMWZZTFVVLC-UHFFFAOYSA-N 1 0 510.480 4.747 50 0 KJAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)c1ccccc1Br ZINC000034831223 554016891 /nfs/dbraw/zinc/01/68/91/554016891.db2.gz OUSMQOKZFSCLNN-UHFFFAOYSA-N 1 0 510.480 4.747 50 0 KJAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)c1cccc(Br)c1 ZINC000034831261 554016988 /nfs/dbraw/zinc/01/69/88/554016988.db2.gz PFCMWPUCUDIVQY-UHFFFAOYSA-N 1 0 528.470 4.887 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccc(OC)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831336 554016939 /nfs/dbraw/zinc/01/69/39/554016939.db2.gz IQVCUNRRTWKEDF-UHFFFAOYSA-N 1 0 521.681 4.698 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccc(F)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831341 554016878 /nfs/dbraw/zinc/01/68/78/554016878.db2.gz GKVPYQMRJZPDOF-UHFFFAOYSA-N 1 0 509.645 4.828 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)COCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831346 554016955 /nfs/dbraw/zinc/01/69/55/554016955.db2.gz GIZSFGUAQXZLEB-UHFFFAOYSA-N 1 0 521.681 4.663 50 0 KJAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3cccc(OC)c3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831375 554016923 /nfs/dbraw/zinc/01/69/23/554016923.db2.gz JJEIXZDXIJJWPE-UHFFFAOYSA-N 1 0 508.642 4.913 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3ccc(C)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831386 554017272 /nfs/dbraw/zinc/01/72/72/554017272.db2.gz TYXCTLIMVWEERA-UHFFFAOYSA-N 1 0 527.710 4.617 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)c3ccc(Cl)c(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034831873 554017624 /nfs/dbraw/zinc/01/76/24/554017624.db2.gz GKXYWALWQADSHF-UHFFFAOYSA-N 1 0 530.500 4.918 50 0 KJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034832035 554017539 /nfs/dbraw/zinc/01/75/39/554017539.db2.gz IAMPJYPYAOGTII-OAQYLSRUSA-N 1 0 509.645 4.971 50 0 KJAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034832037 554017701 /nfs/dbraw/zinc/01/77/01/554017701.db2.gz IAMPJYPYAOGTII-NRFANRHFSA-N 1 0 509.645 4.971 50 0 KJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1ccccc1OC ZINC000034832043 554017661 /nfs/dbraw/zinc/01/76/61/554017661.db2.gz VRMANBZJDMTQIU-OAQYLSRUSA-N 1 0 507.654 4.911 50 0 KJAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1ccccc1OC ZINC000034832045 554017548 /nfs/dbraw/zinc/01/75/48/554017548.db2.gz VRMANBZJDMTQIU-NRFANRHFSA-N 1 0 507.654 4.911 50 0 KJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Cc1ccc(OC)cc1 ZINC000034832061 554017581 /nfs/dbraw/zinc/01/75/81/554017581.db2.gz VIYJQUIMTDCIKD-JOCHJYFZSA-N 1 0 521.681 4.840 50 0 KJAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Cc1ccc(OC)cc1 ZINC000034832062 554017565 /nfs/dbraw/zinc/01/75/65/554017565.db2.gz VIYJQUIMTDCIKD-QFIPXVFZSA-N 1 0 521.681 4.840 50 0 KJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)COCc1ccccc1 ZINC000034832078 554017594 /nfs/dbraw/zinc/01/75/94/554017594.db2.gz BBONTJPBSMIJSB-HSZRJFAPSA-N 1 0 521.681 4.806 50 0 KJAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)COCc1ccccc1 ZINC000034832080 554017673 /nfs/dbraw/zinc/01/76/73/554017673.db2.gz BBONTJPBSMIJSB-QHCPKHFHSA-N 1 0 521.681 4.806 50 0 KJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000034832099 554017558 /nfs/dbraw/zinc/01/75/58/554017558.db2.gz PCHPDVCESGJBHZ-HXUWFJFHSA-N 1 0 521.637 4.631 50 0 KJAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000034832101 554017617 /nfs/dbraw/zinc/01/76/17/554017617.db2.gz PCHPDVCESGJBHZ-FQEVSTJZSA-N 1 0 521.637 4.631 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)COCc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034832141 554017553 /nfs/dbraw/zinc/01/75/53/554017553.db2.gz JJOZLMUPXJIFIE-UHFFFAOYSA-N 1 0 517.718 4.914 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)c3ccc4c(c3)OCO4)c(C)nn2-c2ccccc2)CC1 ZINC000034832164 554017949 /nfs/dbraw/zinc/01/79/49/554017949.db2.gz DGXFEGCHURQSIL-UHFFFAOYSA-N 1 0 517.674 4.740 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)S(=O)(=O)c3ccc(C)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034832222 554018034 /nfs/dbraw/zinc/01/80/34/554018034.db2.gz RRENGGIBDDBCFD-UHFFFAOYSA-N 1 0 523.747 4.868 50 0 KJAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)COCc1ccccc1 ZINC000034834498 554018736 /nfs/dbraw/zinc/01/87/36/554018736.db2.gz WNGGVWDAHHTBIZ-UHFFFAOYSA-N 1 0 521.681 4.663 50 0 KJAARO CCCC[C@@H](CC)C(=O)N(CCCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1 ZINC000034834550 554018913 /nfs/dbraw/zinc/01/89/13/554018913.db2.gz PQZPTVDUPYFMGV-HSZRJFAPSA-N 1 0 501.691 4.653 50 0 KJAARO CCCC[C@H](CC)C(=O)N(CCCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1 ZINC000034834552 554018806 /nfs/dbraw/zinc/01/88/06/554018806.db2.gz PQZPTVDUPYFMGV-QHCPKHFHSA-N 1 0 501.691 4.653 50 0 KJAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)c1ccc2ccccc2c1 ZINC000034834566 554018824 /nfs/dbraw/zinc/01/88/24/554018824.db2.gz BRXXDZJDZGPGEU-UHFFFAOYSA-N 1 0 529.660 4.904 50 0 KJAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000034834700 554019260 /nfs/dbraw/zinc/01/92/60/554019260.db2.gz ORQOLFYLRNFVBF-UHFFFAOYSA-N 1 0 530.500 4.918 50 0 KJAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000034834746 554019317 /nfs/dbraw/zinc/01/93/17/554019317.db2.gz RNQCCUAWSSVTEH-UHFFFAOYSA-N 1 0 530.500 4.918 50 0 KJAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034834747 554019326 /nfs/dbraw/zinc/01/93/26/554019326.db2.gz XXDRVKIXRGRDKT-UHFFFAOYSA-N 1 0 517.718 4.909 50 0 KJAARO CCCCOc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](C)CC2)cc1 ZINC000034834759 554019360 /nfs/dbraw/zinc/01/93/60/554019360.db2.gz AWENUGFFKJAIPY-UHFFFAOYSA-N 1 0 533.717 4.790 50 0 KJAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000034834828 554019376 /nfs/dbraw/zinc/01/93/76/554019376.db2.gz LTDSONJQZHOUAB-UHFFFAOYSA-N 1 0 511.070 4.657 50 0 KJAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000034834846 554019212 /nfs/dbraw/zinc/01/92/12/554019212.db2.gz MVNIMZYACSWDHM-UHFFFAOYSA-N 1 0 531.726 4.933 50 0 KJAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000034834869 554019300 /nfs/dbraw/zinc/01/93/00/554019300.db2.gz ZLNAAEQDGVWUSN-UHFFFAOYSA-N 1 0 530.138 4.823 50 0 KJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cc(OC)cc(OC)c1 ZINC000034835005 554019196 /nfs/dbraw/zinc/01/91/96/554019196.db2.gz LCQMMFSPBYLHRC-JOCHJYFZSA-N 1 0 519.690 4.781 50 0 KJAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cc(OC)cc(OC)c1 ZINC000034835008 554019333 /nfs/dbraw/zinc/01/93/33/554019333.db2.gz LCQMMFSPBYLHRC-QFIPXVFZSA-N 1 0 519.690 4.781 50 0 KJAARO CCc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)cc1 ZINC000034835199 554019682 /nfs/dbraw/zinc/01/96/82/554019682.db2.gz KHLFCRULBMUJBV-UHFFFAOYSA-N 1 0 503.691 4.564 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)c3cccc(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034835224 554019512 /nfs/dbraw/zinc/01/95/12/554019512.db2.gz BAIFMVNSWVIBIK-UHFFFAOYSA-N 1 0 510.082 4.655 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)Nc3cccc(C)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034835262 554019552 /nfs/dbraw/zinc/01/95/52/554019552.db2.gz OBMPURALKNPKAW-UHFFFAOYSA-N 1 0 504.679 4.702 50 0 KJAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)COc1ccccc1 ZINC000034835424 554019541 /nfs/dbraw/zinc/01/95/41/554019541.db2.gz LBQLVSUBAQWRDL-UHFFFAOYSA-N 1 0 521.681 4.922 50 0 KJAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000034835437 554019972 /nfs/dbraw/zinc/01/99/72/554019972.db2.gz ZDLYTZGSOHFGIW-UHFFFAOYSA-N 1 0 535.664 4.885 50 0 KJAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)COc1ccccc1)C(C)C ZINC000034835700 554020031 /nfs/dbraw/zinc/02/00/31/554020031.db2.gz VYZFUXXUSAQDDH-UHFFFAOYSA-N 1 0 507.654 4.666 50 0 KJAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)Cc1ccc(F)cc1)C(C)C ZINC000034835724 554019911 /nfs/dbraw/zinc/01/99/11/554019911.db2.gz FDPIBRMTBURKHT-UHFFFAOYSA-N 1 0 509.645 4.969 50 0 KJAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)COCc1ccccc1)C(C)C ZINC000034835749 554020023 /nfs/dbraw/zinc/02/00/23/554020023.db2.gz SFABADFZDPIIST-UHFFFAOYSA-N 1 0 521.681 4.804 50 0 KJAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1cccc(OC)c1 ZINC000034835827 554020328 /nfs/dbraw/zinc/02/03/28/554020328.db2.gz KQPRHSDGPWQZDY-UHFFFAOYSA-N 1 0 508.642 4.914 50 0 KJAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3ccccc3OC)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835856 554020315 /nfs/dbraw/zinc/02/03/15/554020315.db2.gz FKZWOPPIUQYSRG-UHFFFAOYSA-N 1 0 506.626 4.667 50 0 KJAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3cccc(OC)c3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835860 554020321 /nfs/dbraw/zinc/02/03/21/554020321.db2.gz GOXBOOWQLZUIHR-UHFFFAOYSA-N 1 0 506.626 4.667 50 0 KJAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)S(=O)(=O)c1ccccc1 ZINC000034835905 554020280 /nfs/dbraw/zinc/02/02/80/554020280.db2.gz JPNZHVFGZWNRLL-UHFFFAOYSA-N 1 0 527.710 4.705 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCOC)Cc3ccc(Cl)cc3)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836418 554020565 /nfs/dbraw/zinc/02/05/65/554020565.db2.gz GPTSGDWICKMYBR-UHFFFAOYSA-N 1 0 500.062 4.764 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCOC)Cc3ccccc3Cl)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836425 554020500 /nfs/dbraw/zinc/02/05/00/554020500.db2.gz RPLGSFMLHUSEPX-UHFFFAOYSA-N 1 0 500.062 4.764 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCOC)Cc3cccc(Cl)c3)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836434 554020450 /nfs/dbraw/zinc/02/04/50/554020450.db2.gz UGZQENHRVBKWPK-UHFFFAOYSA-N 1 0 500.062 4.764 50 0 KJAARO O=C(CCc1ccccc1)N(CC[NH+]1CCCC1)CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000034902426 554025160 /nfs/dbraw/zinc/02/51/60/554025160.db2.gz RZZHQZADDWKZNE-UHFFFAOYSA-N 1 0 507.675 4.973 50 0 KJAARO COc1ccc(CCNC(=O)C2CC[NH+](C3CCN(C(=O)c4cccc5ccccc54)CC3)CC2)cc1OC ZINC000034915878 554030155 /nfs/dbraw/zinc/03/01/55/554030155.db2.gz LMBNLSWBWGJBGU-UHFFFAOYSA-N 1 0 529.681 4.533 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034920603 554031380 /nfs/dbraw/zinc/03/13/80/554031380.db2.gz GKYPSTWIHLMYES-VWLOTQADSA-N 1 0 529.603 4.988 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034920605 554031293 /nfs/dbraw/zinc/03/12/93/554031293.db2.gz GKYPSTWIHLMYES-RUZDIDTESA-N 1 0 529.603 4.988 50 0 KJAARO O=C(c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccccc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000034921957 554031941 /nfs/dbraw/zinc/03/19/41/554031941.db2.gz CDUSPZLAFYGAHY-UHFFFAOYSA-N 1 0 503.578 4.846 50 0 KJAARO O=C(c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1cccc(F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000034921977 554032002 /nfs/dbraw/zinc/03/20/02/554032002.db2.gz XTYKUQHMHFMPFN-UHFFFAOYSA-N 1 0 503.578 4.846 50 0 KJAARO COc1cccc(-c2cc(C(=O)N(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC(C)C)no2)c1 ZINC000034922627 554032139 /nfs/dbraw/zinc/03/21/39/554032139.db2.gz DGXKPDDUBZMYKQ-UHFFFAOYSA-N 1 0 518.658 4.619 50 0 KJAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)Cc2ccccc2)s1 ZINC000035085128 554034428 /nfs/dbraw/zinc/03/44/28/554034428.db2.gz RQYHWWPMZWSUQV-UHFFFAOYSA-N 1 0 507.675 4.892 50 0 KJAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)CCc2ccccc2)o1 ZINC000035104147 554034652 /nfs/dbraw/zinc/03/46/52/554034652.db2.gz QZBFJHNTUZHQPF-UHFFFAOYSA-N 1 0 501.671 4.717 50 0 KJAARO CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CC[NH+](C)CC3)c(C)c3[nH]c4ncc(C)cc4c32)c1 ZINC000035310420 554043116 /nfs/dbraw/zinc/04/31/16/554043116.db2.gz WKDACQVEJIVHMZ-UHFFFAOYSA-N 1 0 504.656 4.618 50 0 investigational KJAARO O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000035314025 554043135 /nfs/dbraw/zinc/04/31/35/554043135.db2.gz YRXCQVSZBQCCJW-UHFFFAOYSA-N 1 0 503.668 4.783 50 0 KJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397191 554047769 /nfs/dbraw/zinc/04/77/69/554047769.db2.gz MTPRRXVSYUVVKV-UHFFFAOYSA-N 1 0 507.404 4.722 50 0 KJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccc(Br)cc1)=N2 ZINC000035397192 554047803 /nfs/dbraw/zinc/04/78/03/554047803.db2.gz IQPYXLXXVIOWGY-UHFFFAOYSA-N 1 0 507.404 4.722 50 0 KJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(Br)cc1)=N2 ZINC000035397195 554047732 /nfs/dbraw/zinc/04/77/32/554047732.db2.gz LPDHVCZDQLJGTQ-UHFFFAOYSA-N 1 0 507.404 4.722 50 0 KJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397211 554047741 /nfs/dbraw/zinc/04/77/41/554047741.db2.gz PVHPMVXHIZAUEJ-UHFFFAOYSA-N 1 0 503.441 4.973 50 0 KJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397214 554048125 /nfs/dbraw/zinc/04/81/25/554048125.db2.gz SGUQIBMJNGWRFP-UHFFFAOYSA-N 1 0 503.441 4.973 50 0 KJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(Br)cc1)=N2 ZINC000035397215 554048079 /nfs/dbraw/zinc/04/80/79/554048079.db2.gz KYQBDOTUJDQHDU-UHFFFAOYSA-N 1 0 503.441 4.973 50 0 KJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397218 554048175 /nfs/dbraw/zinc/04/81/75/554048175.db2.gz FJTSTQLYBKTAHY-UHFFFAOYSA-N 1 0 515.477 4.843 50 0 KJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(OC)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397219 554048099 /nfs/dbraw/zinc/04/80/99/554048099.db2.gz STAQIFVTISSXPC-UHFFFAOYSA-N 1 0 515.477 4.843 50 0 KJAARO Cc1ccc(Sc2ccc(N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)nn2)cc1 ZINC000035399594 554048029 /nfs/dbraw/zinc/04/80/29/554048029.db2.gz SCGQHIGKKJTTIC-UHFFFAOYSA-N 1 0 501.700 4.933 50 0 KJAARO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCC[NH+]5CCCCC5)CC4)ccc3o2)cc1 ZINC000035454631 554055827 /nfs/dbraw/zinc/05/58/27/554055827.db2.gz XHCLBGDHVWYXIE-JOCHJYFZSA-N 1 0 502.659 4.894 50 0 KJAARO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCC[NH+]5CCCCC5)CC4)ccc3o2)cc1 ZINC000035454634 554055753 /nfs/dbraw/zinc/05/57/53/554055753.db2.gz XHCLBGDHVWYXIE-QFIPXVFZSA-N 1 0 502.659 4.894 50 0 KJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccc(Cl)cc2)C1 ZINC000035538403 554058945 /nfs/dbraw/zinc/05/89/45/554058945.db2.gz VEFCTODYUJSSDH-BCDQWZCSSA-N 1 0 511.066 4.787 50 0 KJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccc(Cl)cc2)C1 ZINC000035538410 554059042 /nfs/dbraw/zinc/05/90/42/554059042.db2.gz VEFCTODYUJSSDH-HIRWGAFWSA-N 1 0 511.066 4.787 50 0 KJAARO COCCn1c([C@H](C)N(CCCCCC[NH3+])C(=O)c2cccc3ccccc32)nc2ccccc2c1=O ZINC000035743802 554069785 /nfs/dbraw/zinc/06/97/85/554069785.db2.gz LECVSYRPFHNWOM-QFIPXVFZSA-N 1 0 500.643 4.919 50 0 KJAARO COCCn1c([C@@H](C)N(CCCCCC[NH3+])C(=O)c2cccc3ccccc32)nc2ccccc2c1=O ZINC000035743804 554069789 /nfs/dbraw/zinc/06/97/89/554069789.db2.gz LECVSYRPFHNWOM-JOCHJYFZSA-N 1 0 500.643 4.919 50 0 KJAARO COc1ccc(C(=O)N(CC[NH+]2CCCC2)CC(=O)N(Cc2cccs2)Cc2ccc(F)cc2)cc1 ZINC000035771152 554073245 /nfs/dbraw/zinc/07/32/45/554073245.db2.gz MBANOQYTZSGPSI-UHFFFAOYSA-N 1 0 509.647 4.663 50 0 KJAARO O=C(Cc1ccc(F)cc1)N(CC[NH+]1CCCC1)CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000035771158 554073318 /nfs/dbraw/zinc/07/33/18/554073318.db2.gz BNRSQEVXVVTRIF-UHFFFAOYSA-N 1 0 511.638 4.722 50 0 KJAARO Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)Cc1cccs1 ZINC000035774007 554073648 /nfs/dbraw/zinc/07/36/48/554073648.db2.gz DADVXZKIVAWURG-UHFFFAOYSA-N 1 0 513.704 4.953 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)CC(C)(C)C)cc1OC ZINC000035809004 554077457 /nfs/dbraw/zinc/07/74/57/554077457.db2.gz QFJKDBNUYDGTJP-UHFFFAOYSA-N 1 0 541.733 4.927 50 0 KJAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)C[C@@H](O)C(C)C ZINC000035842570 554080948 /nfs/dbraw/zinc/08/09/48/554080948.db2.gz GYNKCUIGPDZAIS-HHHXNRCGSA-N 1 0 500.083 4.748 50 0 KJAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)C[C@H](O)C(C)C ZINC000035842572 554080940 /nfs/dbraw/zinc/08/09/40/554080940.db2.gz GYNKCUIGPDZAIS-MHZLTWQESA-N 1 0 500.083 4.748 50 0 KJAARO O=C(NCc1ccncc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000035871389 554085767 /nfs/dbraw/zinc/08/57/67/554085767.db2.gz ZTGVLJJBPMKFQS-ZCYQVOJMSA-N 1 0 514.979 4.933 50 0 KJAARO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000035871469 554085730 /nfs/dbraw/zinc/08/57/30/554085730.db2.gz SYROLYWEHCVWLN-IXCJQBJRSA-N 1 0 507.600 4.970 50 0 KJAARO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000035871470 554086253 /nfs/dbraw/zinc/08/62/53/554086253.db2.gz SYROLYWEHCVWLN-XTEPFMGCSA-N 1 0 507.600 4.970 50 0 KJAARO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000035871577 554086153 /nfs/dbraw/zinc/08/61/53/554086153.db2.gz JCIMJTRACYBVAQ-IXCJQBJRSA-N 1 0 523.599 4.806 50 0 KJAARO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000035871578 554086096 /nfs/dbraw/zinc/08/60/96/554086096.db2.gz JCIMJTRACYBVAQ-XTEPFMGCSA-N 1 0 523.599 4.806 50 0 KJAARO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035908101 554092473 /nfs/dbraw/zinc/09/24/73/554092473.db2.gz LPDJEUBNJJYJDW-AHWVRZQESA-N 1 0 501.593 4.896 50 0 KJAARO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035908104 554092294 /nfs/dbraw/zinc/09/22/94/554092294.db2.gz FEQBREXZEAPRIC-BDYUSTAISA-N 1 0 527.562 4.903 50 0 KJAARO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035908106 554092368 /nfs/dbraw/zinc/09/23/68/554092368.db2.gz DZTFKAWHGUYVKI-AHWVRZQESA-N 1 0 529.628 4.868 50 0 KJAARO COc1ccc(-c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3nn(Cc4ccccc4)c(N)c32)c(F)c1 ZINC000035929032 554101443 /nfs/dbraw/zinc/10/14/43/554101443.db2.gz IPEKAOATYDHQIM-UHFFFAOYSA-N 1 0 523.616 4.594 50 0 KJAARO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](CCc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000035929937 554101715 /nfs/dbraw/zinc/10/17/15/554101715.db2.gz MOBYYPNHSVEATI-UHFFFAOYSA-N 1 0 507.617 4.628 50 0 KJAARO COc1ccc(-n2nc3nc(N4CC[NH+](Cc5ccccc5)CC4)nc(-c4ccc(F)cc4)c3c2N)cc1 ZINC000035930014 554101702 /nfs/dbraw/zinc/10/17/02/554101702.db2.gz WJUPBUMTJBIJLF-UHFFFAOYSA-N 1 0 509.589 4.535 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)NC(=[NH2+])N[C@H]1c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000035958622 554108081 /nfs/dbraw/zinc/10/80/81/554108081.db2.gz RMDNUEVCXVBIPO-SANMLTNESA-N 1 0 535.000 4.509 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)NC(=[NH2+])N[C@H]1c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000035973848 554115093 /nfs/dbraw/zinc/11/50/93/554115093.db2.gz BBPNHOYCEHSKPD-SANMLTNESA-N 1 0 568.552 4.875 50 0 KJAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000035990992 554123773 /nfs/dbraw/zinc/12/37/73/554123773.db2.gz AOVDVDKWHXLEEQ-VWLOTQADSA-N 1 0 531.484 4.715 50 0 KJAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000035990993 554123799 /nfs/dbraw/zinc/12/37/99/554123799.db2.gz AOVDVDKWHXLEEQ-RUZDIDTESA-N 1 0 531.484 4.715 50 0 KJAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000035991208 554123663 /nfs/dbraw/zinc/12/36/63/554123663.db2.gz VITCHQXAYQHJPE-VWLOTQADSA-N 1 0 531.484 4.715 50 0 KJAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000035991209 554124194 /nfs/dbraw/zinc/12/41/94/554124194.db2.gz VITCHQXAYQHJPE-RUZDIDTESA-N 1 0 531.484 4.715 50 0 KJAARO Cc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccccc4F)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000036001675 554128823 /nfs/dbraw/zinc/12/88/23/554128823.db2.gz NUPFGKBLRSKFTL-UHFFFAOYSA-N 1 0 500.618 4.945 50 0 KJAARO Cc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000036001676 554128931 /nfs/dbraw/zinc/12/89/31/554128931.db2.gz MBICRBPQBZWLMC-UHFFFAOYSA-N 1 0 500.618 4.945 50 0 KJAARO Cc1cccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N3CCOCC3)CC2)c1 ZINC000036027583 554141117 /nfs/dbraw/zinc/14/11/17/554141117.db2.gz VIXJQXVYYKVUKV-UHFFFAOYSA-N 1 0 533.072 4.695 50 0 KJAARO CC[C@@H](C)[C@H]1NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027910 554141023 /nfs/dbraw/zinc/14/10/23/554141023.db2.gz JNDRGNJVHSEGIL-UFHPHHKVSA-N 1 0 517.718 4.830 50 0 KJAARO CC[C@H](C)[C@H]1NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027911 554141152 /nfs/dbraw/zinc/14/11/52/554141152.db2.gz JNDRGNJVHSEGIL-RBJSKKJNSA-N 1 0 517.718 4.830 50 0 KJAARO CC[C@@H](C)[C@@H]1NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027912 554141166 /nfs/dbraw/zinc/14/11/66/554141166.db2.gz JNDRGNJVHSEGIL-YWEHKCAJSA-N 1 0 517.718 4.830 50 0 KJAARO CC[C@H](C)[C@@H]1NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027913 554141191 /nfs/dbraw/zinc/14/11/91/554141191.db2.gz JNDRGNJVHSEGIL-CUBQBAPOSA-N 1 0 517.718 4.830 50 0 KJAARO CC[C@@H](C)[C@H]1NC2(CCN(C(=O)Nc3ccccc3OC)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027914 554141211 /nfs/dbraw/zinc/14/12/11/554141211.db2.gz PABKCPDNRAQSFG-QDPGVEIFSA-N 1 0 533.717 4.530 50 0 KJAARO CC[C@H](C)[C@H]1NC2(CCN(C(=O)Nc3ccccc3OC)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027915 554141421 /nfs/dbraw/zinc/14/14/21/554141421.db2.gz PABKCPDNRAQSFG-NEKDWFFYSA-N 1 0 533.717 4.530 50 0 KJAARO CC[C@@H](C)[C@@H]1NC2(CCN(C(=O)Nc3ccccc3OC)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027916 554141410 /nfs/dbraw/zinc/14/14/10/554141410.db2.gz PABKCPDNRAQSFG-LXFBAYGMSA-N 1 0 533.717 4.530 50 0 KJAARO CC[C@H](C)[C@@H]1NC2(CCN(C(=O)Nc3ccccc3OC)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027917 554141391 /nfs/dbraw/zinc/14/13/91/554141391.db2.gz PABKCPDNRAQSFG-FIPFOOKPSA-N 1 0 533.717 4.530 50 0 KJAARO CC[C@@H](C)[C@H]1NC2(CCN(C(=S)Nc3cccc(C)c3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036028050 554141473 /nfs/dbraw/zinc/14/14/73/554141473.db2.gz GTCWYRVCLZXQMD-UFHPHHKVSA-N 1 0 533.786 4.995 50 0 KJAARO CC[C@H](C)[C@H]1NC2(CCN(C(=S)Nc3cccc(C)c3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036028051 554141352 /nfs/dbraw/zinc/14/13/52/554141352.db2.gz GTCWYRVCLZXQMD-RBJSKKJNSA-N 1 0 533.786 4.995 50 0 KJAARO CC[C@@H](C)[C@@H]1NC2(CCN(C(=S)Nc3cccc(C)c3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036028052 554141358 /nfs/dbraw/zinc/14/13/58/554141358.db2.gz GTCWYRVCLZXQMD-YWEHKCAJSA-N 1 0 533.786 4.995 50 0 KJAARO CC[C@H](C)[C@@H]1NC2(CCN(C(=S)Nc3cccc(C)c3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036028053 554141554 /nfs/dbraw/zinc/14/15/54/554141554.db2.gz GTCWYRVCLZXQMD-CUBQBAPOSA-N 1 0 533.786 4.995 50 0 KJAARO CCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCc3ccccn3)o2)n1 ZINC000036028496 554141756 /nfs/dbraw/zinc/14/17/56/554141756.db2.gz FOJHMMHWSPZJSR-UHFFFAOYSA-N 1 0 528.682 4.572 50 0 KJAARO CCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCc3cccnc3)o2)n1 ZINC000036028497 554141882 /nfs/dbraw/zinc/14/18/82/554141882.db2.gz LLJIMGZASPMPCA-UHFFFAOYSA-N 1 0 528.682 4.572 50 0 KJAARO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2cccc(C(=O)NCc3cccnc3)c2)n1 ZINC000036029320 554141924 /nfs/dbraw/zinc/14/19/24/554141924.db2.gz RSHJUHSCFQWWNC-UHFFFAOYSA-N 1 0 524.694 4.725 50 0 KJAARO C[NH+]1CCN(c2cc(-c3ccccc3)nc(SCc3cccc(C(=O)NCc4ccccn4)c3)n2)CC1 ZINC000036038711 554146782 /nfs/dbraw/zinc/14/67/82/554146782.db2.gz VMLIHVONUKXKCL-UHFFFAOYSA-N 1 0 510.667 4.513 50 0 KJAARO CC(C)NC(=O)c1ccc(CSc2nc(N3CC[NH+](Cc4ccccc4)CC3)cc(C(F)(F)F)n2)o1 ZINC000036038743 554146858 /nfs/dbraw/zinc/14/68/58/554146858.db2.gz SFBROGSHUOXZMC-UHFFFAOYSA-N 1 0 519.593 4.841 50 0 KJAARO CC[NH+]1CCN(c2cc(C(C)C)nc(SCc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)n2)CC1 ZINC000036049753 554156393 /nfs/dbraw/zinc/15/63/93/554156393.db2.gz IWPCLPBVZBQZJX-UHFFFAOYSA-N 1 0 533.698 4.693 50 0 KJAARO COc1cccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(F)c2)c1 ZINC000036052141 554158242 /nfs/dbraw/zinc/15/82/42/554158242.db2.gz MUOUFEDBAHZEBU-UHFFFAOYSA-N 1 0 529.616 4.638 50 0 KJAARO CC(C)C(=O)N(CC[NH+](C)C)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1 ZINC000036055552 554159324 /nfs/dbraw/zinc/15/93/24/554159324.db2.gz GZWIOKGYOLKXOR-UHFFFAOYSA-N 1 0 501.553 4.543 50 0 KJAARO COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)CC(C)C)cc1 ZINC000036060991 554160833 /nfs/dbraw/zinc/16/08/33/554160833.db2.gz ODAQDMXSXWXXHK-UHFFFAOYSA-N 1 0 512.054 4.576 50 0 KJAARO C[NH+](C)CCNC(=O)c1cccc(Nc2c(Oc3ccc(Cl)cc3)cnn(-c3ccccc3)c2=O)c1 ZINC000036061555 554161565 /nfs/dbraw/zinc/16/15/65/554161565.db2.gz JCNGFIGBQVCOOF-UHFFFAOYSA-N 1 0 503.990 4.713 50 0 KJAARO Cc1nc(SCc2cccc(C(=O)NCC3CC3)c2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000036062994 554162275 /nfs/dbraw/zinc/16/22/75/554162275.db2.gz MHWHDMVWHAKORO-UHFFFAOYSA-N 1 0 501.700 4.848 50 0 KJAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCc4cccnc4)cc3)n2)CC1 ZINC000036065093 554163526 /nfs/dbraw/zinc/16/35/26/554163526.db2.gz LNZHGQSETJBRFL-UHFFFAOYSA-N 1 0 504.704 4.533 50 0 KJAARO CCOc1ccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036065354 554164278 /nfs/dbraw/zinc/16/42/78/554164278.db2.gz ISGROKUCUAHPEU-UHFFFAOYSA-N 1 0 504.553 4.586 50 0 KJAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2cccc(Oc3ccccc3)c2)n1 ZINC000036065801 554165025 /nfs/dbraw/zinc/16/50/25/554165025.db2.gz PKEYMOHEQVFOAO-UHFFFAOYSA-N 1 0 528.609 4.689 50 0 KJAARO C[NH+](C)CCNC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072178 554169644 /nfs/dbraw/zinc/16/96/44/554169644.db2.gz MRXPAMPFGMOAAP-UHFFFAOYSA-N 1 0 513.564 4.711 50 0 KJAARO C[NH+](C)CCNC(=O)c1ccc(Nc2c(Oc3ccccc3)cnn(-c3ccccc3Cl)c2=O)cc1 ZINC000036084845 554175683 /nfs/dbraw/zinc/17/56/83/554175683.db2.gz FSVDGWQOLZWWAZ-UHFFFAOYSA-N 1 0 503.990 4.713 50 0 KJAARO COc1ccc(-n2ncc(Oc3cccc(C)c3C)c(Nc3cccc(C(=O)NCC[NH+](C)C)c3)c2=O)cc1 ZINC000036094152 554178229 /nfs/dbraw/zinc/17/82/29/554178229.db2.gz KNGGKDBBNSKHHZ-UHFFFAOYSA-N 1 0 527.625 4.685 50 0 KJAARO COc1ccc(-n2ncc(Oc3cccc(C)c3C)c(Nc3ccc(C(=O)NCC[NH+](C)C)cc3)c2=O)cc1 ZINC000036094157 554178141 /nfs/dbraw/zinc/17/81/41/554178141.db2.gz MXCWNNNZOCDOOD-UHFFFAOYSA-N 1 0 527.625 4.685 50 0 KJAARO Cc1ccc(Oc2cnn(-c3ccc(F)cc3)c(=O)c2Nc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000036094578 554178401 /nfs/dbraw/zinc/17/84/01/554178401.db2.gz DKAZGJVJINVMQM-UHFFFAOYSA-N 1 0 501.562 4.507 50 0 KJAARO COc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2csc(COc3cccc(C)c3C)n2)cc1 ZINC000036115350 554178679 /nfs/dbraw/zinc/17/86/79/554178679.db2.gz SXYMRDDGEIRPLA-UHFFFAOYSA-N 1 0 515.701 4.634 50 0 KJAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1ccccc1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121291 554191373 /nfs/dbraw/zinc/19/13/73/554191373.db2.gz IEUUXQNQBBAYRT-SANMLTNESA-N 1 0 521.658 4.630 50 0 KJAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1ccccc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121292 554191329 /nfs/dbraw/zinc/19/13/29/554191329.db2.gz IEUUXQNQBBAYRT-AREMUKBSSA-N 1 0 521.658 4.630 50 0 KJAARO O=C(CN(CC[NH+]1CCCC1)C(=O)C1CCCC1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121295 554191251 /nfs/dbraw/zinc/19/12/51/554191251.db2.gz YLQHUOBDNFYXIH-RUZDIDTESA-N 1 0 513.679 4.507 50 0 KJAARO O=C(CN(CC[NH+]1CCCC1)C(=O)C1CCCC1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121296 554191337 /nfs/dbraw/zinc/19/13/37/554191337.db2.gz YLQHUOBDNFYXIH-VWLOTQADSA-N 1 0 513.679 4.507 50 0 KJAARO CCNC(=O)N(CC[NH+]1CCCC1)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036122160 554193351 /nfs/dbraw/zinc/19/33/51/554193351.db2.gz YLCULVAMBFSYOG-VWLOTQADSA-N 1 0 512.720 4.504 50 0 KJAARO CCNC(=O)N(CC[NH+]1CCCC1)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000036122161 554193289 /nfs/dbraw/zinc/19/32/89/554193289.db2.gz YLCULVAMBFSYOG-RUZDIDTESA-N 1 0 512.720 4.504 50 0 KJAARO CC(C)NC(=O)N(CC[NH+]1CCCC1)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000036122162 554193235 /nfs/dbraw/zinc/19/32/35/554193235.db2.gz YAJQAWSGFUSKJD-AREMUKBSSA-N 1 0 526.747 4.892 50 0 KJAARO CC(C)NC(=O)N(CC[NH+]1CCCC1)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036122163 554193367 /nfs/dbraw/zinc/19/33/67/554193367.db2.gz YAJQAWSGFUSKJD-SANMLTNESA-N 1 0 526.747 4.892 50 0 KJAARO CCCC(=O)OC[C@H](O)C[N@H+](CCCOC)Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1 ZINC000036249926 554210243 /nfs/dbraw/zinc/21/02/43/554210243.db2.gz SRODCEAOWIUOGY-XMMPIXPASA-N 1 0 501.668 4.653 50 0 KJAARO CCCC(=O)OC[C@@H](O)C[N@H+](CCCOC)Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1 ZINC000036249927 554210260 /nfs/dbraw/zinc/21/02/60/554210260.db2.gz SRODCEAOWIUOGY-DEOSSOPVSA-N 1 0 501.668 4.653 50 0 KJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036256780 554210986 /nfs/dbraw/zinc/21/09/86/554210986.db2.gz HGMUNXUBKKZJLQ-UFHPHHKVSA-N 1 0 510.767 4.681 50 0 KJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036256785 554211073 /nfs/dbraw/zinc/21/10/73/554211073.db2.gz HGMUNXUBKKZJLQ-RBJSKKJNSA-N 1 0 510.767 4.681 50 0 KJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036256953 554210837 /nfs/dbraw/zinc/21/08/37/554210837.db2.gz IWKDOZOFNQPQRH-CJFMBICVSA-N 1 0 523.549 4.691 50 0 KJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036256958 554210913 /nfs/dbraw/zinc/21/09/13/554210913.db2.gz IWKDOZOFNQPQRH-NBGIEHNGSA-N 1 0 523.549 4.691 50 0 KJAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@H](O)CN1CCOCC1)CC1CC1 ZINC000036303626 554213750 /nfs/dbraw/zinc/21/37/50/554213750.db2.gz VRDFLMNHWWPZHZ-XMMPIXPASA-N 1 0 511.066 4.532 50 0 KJAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000036303628 554213923 /nfs/dbraw/zinc/21/39/23/554213923.db2.gz VRDFLMNHWWPZHZ-DEOSSOPVSA-N 1 0 511.066 4.532 50 0 KJAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036305025 554214969 /nfs/dbraw/zinc/21/49/69/554214969.db2.gz YAFFMTNTXOMLGW-YADHBBJMSA-N 1 0 500.039 4.911 50 0 KJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036305028 554215011 /nfs/dbraw/zinc/21/50/11/554215011.db2.gz YAFFMTNTXOMLGW-VXKWHMMOSA-N 1 0 500.039 4.911 50 0 KJAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000036305188 554214895 /nfs/dbraw/zinc/21/48/95/554214895.db2.gz SLYHRRLPTAZKKW-VWNXMTODSA-N 1 0 500.039 4.911 50 0 KJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000036305191 554214926 /nfs/dbraw/zinc/21/49/26/554214926.db2.gz SLYHRRLPTAZKKW-UPVQGACJSA-N 1 0 500.039 4.911 50 0 KJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036305321 554215301 /nfs/dbraw/zinc/21/53/01/554215301.db2.gz MQLFTWLVAALOSE-SANMLTNESA-N 1 0 531.653 4.914 50 0 KJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000036305323 554215248 /nfs/dbraw/zinc/21/52/48/554215248.db2.gz MQLFTWLVAALOSE-AREMUKBSSA-N 1 0 531.653 4.914 50 0 KJAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305579 554215414 /nfs/dbraw/zinc/21/54/14/554215414.db2.gz XMRWHHIGMCGADM-BVAGGSTKSA-N 1 0 509.647 4.655 50 0 KJAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305582 554215270 /nfs/dbraw/zinc/21/52/70/554215270.db2.gz XMRWHHIGMCGADM-OZXSUGGESA-N 1 0 509.647 4.655 50 0 KJAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305590 554215506 /nfs/dbraw/zinc/21/55/06/554215506.db2.gz MFOBETOKXVFUEF-SQHAQQRYSA-N 1 0 523.674 4.903 50 0 KJAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305594 554215169 /nfs/dbraw/zinc/21/51/69/554215169.db2.gz MFOBETOKXVFUEF-IGKIAQTJSA-N 1 0 523.674 4.903 50 0 KJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036305732 554215373 /nfs/dbraw/zinc/21/53/73/554215373.db2.gz DXPGAVHBAZCYLG-RUZDIDTESA-N 1 0 501.627 4.940 50 0 KJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000036305735 554215190 /nfs/dbraw/zinc/21/51/90/554215190.db2.gz DXPGAVHBAZCYLG-VWLOTQADSA-N 1 0 501.627 4.940 50 0 KJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1 ZINC000036306002 554215480 /nfs/dbraw/zinc/21/54/80/554215480.db2.gz LHVRMBZVVYOTDP-RUZDIDTESA-N 1 0 501.627 4.940 50 0 KJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036306004 554215314 /nfs/dbraw/zinc/21/53/14/554215314.db2.gz LHVRMBZVVYOTDP-VWLOTQADSA-N 1 0 501.627 4.940 50 0 KJAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COCC(C)C ZINC000036308872 554216597 /nfs/dbraw/zinc/21/65/97/554216597.db2.gz ZXRGNIQFMNVAQI-OZXSUGGESA-N 1 0 502.721 4.732 50 0 KJAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000036308874 554216830 /nfs/dbraw/zinc/21/68/30/554216830.db2.gz ZXRGNIQFMNVAQI-BVAGGSTKSA-N 1 0 502.721 4.732 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036309137 554216623 /nfs/dbraw/zinc/21/66/23/554216623.db2.gz LSHPJDROXFEJNR-LSYYVWMOSA-N 1 0 522.711 4.851 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036309138 554216693 /nfs/dbraw/zinc/21/66/93/554216693.db2.gz LSHPJDROXFEJNR-NAKRPHOHSA-N 1 0 522.711 4.851 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC(C)C ZINC000036309233 554216816 /nfs/dbraw/zinc/21/68/16/554216816.db2.gz MOFXYLZZMFVIBA-OZXSUGGESA-N 1 0 502.721 4.874 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC(C)C ZINC000036309234 554216729 /nfs/dbraw/zinc/21/67/29/554216729.db2.gz MOFXYLZZMFVIBA-BVAGGSTKSA-N 1 0 502.721 4.874 50 0 KJAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000036309373 554217318 /nfs/dbraw/zinc/21/73/18/554217318.db2.gz YGGQCKUKZBCYJI-BDYUSTAISA-N 1 0 522.711 4.769 50 0 KJAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000036309374 554217303 /nfs/dbraw/zinc/21/73/03/554217303.db2.gz YGGQCKUKZBCYJI-VPUSJEBWSA-N 1 0 522.711 4.769 50 0 KJAARO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COCc2ccccc2)C2CC2)c1 ZINC000036309471 554217150 /nfs/dbraw/zinc/21/71/50/554217150.db2.gz LSXDVLPTAQWGGB-LBNVMWSVSA-N 1 0 520.695 4.603 50 0 KJAARO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COCc2ccccc2)C2CC2)c1 ZINC000036309472 554217232 /nfs/dbraw/zinc/21/72/32/554217232.db2.gz LSXDVLPTAQWGGB-LSYYVWMOSA-N 1 0 520.695 4.603 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000036309487 554217095 /nfs/dbraw/zinc/21/70/95/554217095.db2.gz CREXICDMVAPWII-HOFKKMOUSA-N 1 0 508.684 4.713 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000036309488 554217256 /nfs/dbraw/zinc/21/72/56/554217256.db2.gz CREXICDMVAPWII-KCWPFWIISA-N 1 0 508.684 4.713 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036309489 554217281 /nfs/dbraw/zinc/21/72/81/554217281.db2.gz DTCUENQOUKSSKX-LSYYVWMOSA-N 1 0 522.711 4.851 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000036309490 554217226 /nfs/dbraw/zinc/21/72/26/554217226.db2.gz DTCUENQOUKSSKX-NAKRPHOHSA-N 1 0 522.711 4.851 50 0 KJAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)Cc2ccccc2)CC2CC2)cc1 ZINC000036309555 554217238 /nfs/dbraw/zinc/21/72/38/554217238.db2.gz ARXQAXLPXMCSPH-LEAFIULHSA-N 1 0 504.696 4.877 50 0 KJAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)Cc2ccccc2)CC2CC2)cc1 ZINC000036309556 554217268 /nfs/dbraw/zinc/21/72/68/554217268.db2.gz ARXQAXLPXMCSPH-NAKRPHOHSA-N 1 0 504.696 4.877 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](O)COCc1ccccc1 ZINC000036309605 554217289 /nfs/dbraw/zinc/21/72/89/554217289.db2.gz QLMXWEYFOCIHQR-IGKIAQTJSA-N 1 0 526.674 4.682 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)COCc1ccccc1 ZINC000036309607 554217195 /nfs/dbraw/zinc/21/71/95/554217195.db2.gz QLMXWEYFOCIHQR-SQHAQQRYSA-N 1 0 526.674 4.682 50 0 KJAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036309744 554217311 /nfs/dbraw/zinc/21/73/11/554217311.db2.gz LCVCALLFNVKNRY-NVQXNPDNSA-N 1 0 512.647 4.542 50 0 KJAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036309746 554217250 /nfs/dbraw/zinc/21/72/50/554217250.db2.gz LCVCALLFNVKNRY-GJZUVCINSA-N 1 0 512.647 4.542 50 0 KJAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036309748 554217214 /nfs/dbraw/zinc/21/72/14/554217214.db2.gz OLCSTFRJRVNCAV-IGKIAQTJSA-N 1 0 526.674 4.680 50 0 KJAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036309751 554217570 /nfs/dbraw/zinc/21/75/70/554217570.db2.gz OLCSTFRJRVNCAV-SQHAQQRYSA-N 1 0 526.674 4.680 50 0 KJAARO Cc1ccccc1OC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036309765 554217662 /nfs/dbraw/zinc/21/76/62/554217662.db2.gz VEEDPRNDVLJSFD-BVAGGSTKSA-N 1 0 526.674 4.851 50 0 KJAARO Cc1ccccc1OC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036309767 554217702 /nfs/dbraw/zinc/21/77/02/554217702.db2.gz VEEDPRNDVLJSFD-OZXSUGGESA-N 1 0 526.674 4.851 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036309783 554217630 /nfs/dbraw/zinc/21/76/30/554217630.db2.gz PTTJYRWTLZTEKI-NVQXNPDNSA-N 1 0 512.647 4.544 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036309785 554217785 /nfs/dbraw/zinc/21/77/85/554217785.db2.gz PTTJYRWTLZTEKI-GJZUVCINSA-N 1 0 512.647 4.544 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036309788 554217642 /nfs/dbraw/zinc/21/76/42/554217642.db2.gz RKMHCIPKZJZKMJ-IGKIAQTJSA-N 1 0 526.674 4.682 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036309791 554217735 /nfs/dbraw/zinc/21/77/35/554217735.db2.gz RKMHCIPKZJZKMJ-SQHAQQRYSA-N 1 0 526.674 4.682 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036309809 554217824 /nfs/dbraw/zinc/21/78/24/554217824.db2.gz SSLPXJOODNNGJV-OZXSUGGESA-N 1 0 526.674 4.852 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036309810 554217604 /nfs/dbraw/zinc/21/76/04/554217604.db2.gz SSLPXJOODNNGJV-BVAGGSTKSA-N 1 0 526.674 4.852 50 0 KJAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COc1ccccc1C ZINC000036309954 554217619 /nfs/dbraw/zinc/21/76/19/554217619.db2.gz RPOJBOGVWGMROA-ZCYQVOJMSA-N 1 0 508.684 4.632 50 0 KJAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000036309957 554217759 /nfs/dbraw/zinc/21/77/59/554217759.db2.gz RPOJBOGVWGMROA-NOZRDPDXSA-N 1 0 508.684 4.632 50 0 KJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC(C)C ZINC000036316124 554219707 /nfs/dbraw/zinc/21/97/07/554219707.db2.gz HWMCPRFHOZMEHP-JOCHJYFZSA-N 1 0 503.590 4.640 50 0 KJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COCC(C)C ZINC000036316125 554219673 /nfs/dbraw/zinc/21/96/73/554219673.db2.gz HWMCPRFHOZMEHP-QFIPXVFZSA-N 1 0 503.590 4.640 50 0 KJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036316130 554219533 /nfs/dbraw/zinc/21/95/33/554219533.db2.gz JGBHZMQLGHYRFZ-OAQYLSRUSA-N 1 0 503.590 4.782 50 0 KJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036316131 554219687 /nfs/dbraw/zinc/21/96/87/554219687.db2.gz JGBHZMQLGHYRFZ-NRFANRHFSA-N 1 0 503.590 4.782 50 0 KJAARO COCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1Cc1ccc(C)cc1 ZINC000036316590 554219511 /nfs/dbraw/zinc/21/95/11/554219511.db2.gz LMSRUNOUTORHIM-GDLZYMKVSA-N 1 0 522.693 4.915 50 0 KJAARO COCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1Cc1ccc(C)cc1 ZINC000036316591 554219978 /nfs/dbraw/zinc/21/99/78/554219978.db2.gz LMSRUNOUTORHIM-LJAQVGFWSA-N 1 0 522.693 4.915 50 0 KJAARO CCCCOC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340286 554220220 /nfs/dbraw/zinc/22/02/20/554220220.db2.gz JDOCYYXDFQAQJO-AREMUKBSSA-N 1 0 509.094 4.996 50 0 KJAARO CCCCOC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340287 554220293 /nfs/dbraw/zinc/22/02/93/554220293.db2.gz JDOCYYXDFQAQJO-SANMLTNESA-N 1 0 509.094 4.996 50 0 KJAARO Cc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)C[NH+]3CCCCC3)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340288 554220116 /nfs/dbraw/zinc/22/01/16/554220116.db2.gz INRMOTAOFGDPAK-HHHXNRCGSA-N 1 0 520.121 4.665 50 0 KJAARO Cc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)C[NH+]3CCCCC3)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340289 554220060 /nfs/dbraw/zinc/22/00/60/554220060.db2.gz INRMOTAOFGDPAK-MHZLTWQESA-N 1 0 520.121 4.665 50 0 KJAARO CCCCOC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340324 554220318 /nfs/dbraw/zinc/22/03/18/554220318.db2.gz GYZDERRAWOYMOD-MUUNZHRXSA-N 1 0 502.703 4.959 50 0 KJAARO CCCCOC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340325 554220262 /nfs/dbraw/zinc/22/02/62/554220262.db2.gz GYZDERRAWOYMOD-NDEPHWFRSA-N 1 0 502.703 4.959 50 0 KJAARO CCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)c1Cc1ccccc1F ZINC000036340836 554220141 /nfs/dbraw/zinc/22/01/41/554220141.db2.gz ARHXEGHSNWVRMD-VWLOTQADSA-N 1 0 506.666 4.591 50 0 KJAARO CCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)c1Cc1ccccc1F ZINC000036340837 554220087 /nfs/dbraw/zinc/22/00/87/554220087.db2.gz ARHXEGHSNWVRMD-RUZDIDTESA-N 1 0 506.666 4.591 50 0 KJAARO CCCCOC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340854 554220210 /nfs/dbraw/zinc/22/02/10/554220210.db2.gz XREIRAHVGCJCQF-RUZDIDTESA-N 1 0 506.666 4.736 50 0 KJAARO CCCCOC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340855 554220338 /nfs/dbraw/zinc/22/03/38/554220338.db2.gz XREIRAHVGCJCQF-VWLOTQADSA-N 1 0 506.666 4.736 50 0 KJAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369554 554224331 /nfs/dbraw/zinc/22/43/31/554224331.db2.gz XESODQRWBFMKEB-CYIYBOQLSA-N 1 0 500.683 4.679 50 0 biogenic KJAARO CCOc1cc(C[NH2+]CCc2ccccc2)c(Br)cc1OCC(=O)NCCc1ccccc1 ZINC000036611728 554225701 /nfs/dbraw/zinc/22/57/01/554225701.db2.gz AHMOJMBVSPRRAU-UHFFFAOYSA-N 1 0 511.460 4.918 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1ccc(C)cc1)C3=O ZINC000037006579 554230337 /nfs/dbraw/zinc/23/03/37/554230337.db2.gz RHSOWJPITATGPL-TXAHVWHTSA-N 1 0 530.713 4.857 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1ccccc1C)C3=O ZINC000037006604 554230319 /nfs/dbraw/zinc/23/03/19/554230319.db2.gz BFOSJNCUZNSWOS-JDNLVSNKSA-N 1 0 530.713 4.857 50 0 KJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc(F)cc2)C1 ZINC000037006619 554230766 /nfs/dbraw/zinc/23/07/66/554230766.db2.gz XPNXMMHWWURFED-ZQLNOWDWSA-N 1 0 504.650 4.679 50 0 KJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc(F)cc2)C1 ZINC000037006624 554230734 /nfs/dbraw/zinc/23/07/34/554230734.db2.gz XPNXMMHWWURFED-WOGZVKCMSA-N 1 0 504.650 4.679 50 0 KJAARO CCOc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000037006631 554230789 /nfs/dbraw/zinc/23/07/89/554230789.db2.gz LDEHHPIHFDJZQO-TXAHVWHTSA-N 1 0 530.713 4.939 50 0 KJAARO CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1)C1CC[NH+](C)CC1 ZINC000037277239 554233059 /nfs/dbraw/zinc/23/30/59/554233059.db2.gz OWDHWDLZMIXTDM-UHFFFAOYSA-N 1 0 503.474 4.558 50 0 KJAARO CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000037277244 554233035 /nfs/dbraw/zinc/23/30/35/554233035.db2.gz KBACBOASSSRYJN-UHFFFAOYSA-N 1 0 503.474 4.558 50 0 KJAARO CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1)c1ccccc1 ZINC000037277342 554233052 /nfs/dbraw/zinc/23/30/52/554233052.db2.gz CKTKNSVAMOKDPV-MHZLTWQESA-N 1 0 502.703 4.666 50 0 KJAARO CC[C@@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1)c1ccccc1 ZINC000037277346 554233340 /nfs/dbraw/zinc/23/33/40/554233340.db2.gz CKTKNSVAMOKDPV-HHHXNRCGSA-N 1 0 502.703 4.666 50 0 KJAARO COc1cccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NCC[NH+]3CCCCC3)c2)c1 ZINC000037280331 554233670 /nfs/dbraw/zinc/23/36/70/554233670.db2.gz LKSVZIDLVGNYCG-UHFFFAOYSA-N 1 0 503.618 4.826 50 0 KJAARO Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CC[NH+](C4CCCCCC4)CC3)CC2)cc1 ZINC000037288635 554234665 /nfs/dbraw/zinc/23/46/65/554234665.db2.gz YLHWIIFELNFTGF-UHFFFAOYSA-N 1 0 502.703 4.874 50 0 KJAARO COc1ccccc1-c1nc(N2CCC([NH+]3CCCCC3)CC2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037358160 554234677 /nfs/dbraw/zinc/23/46/77/554234677.db2.gz DEAKJSGKSUSHQD-UHFFFAOYSA-N 1 0 501.610 4.667 50 0 KJAARO COc1ccc(-c2nc(NCC[NH+]3CCCCC3)nc3nn(-c4ccc(Cl)cc4)c(N)c32)cc1OC ZINC000037358507 554234783 /nfs/dbraw/zinc/23/47/83/554234783.db2.gz MFQWJSPFMCXINV-UHFFFAOYSA-N 1 0 508.026 4.633 50 0 KJAARO COc1ccc(-n2nc3nc(N4CC[NH+](Cc5ccccc5)CC4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037359181 554235047 /nfs/dbraw/zinc/23/50/47/554235047.db2.gz ZOGKNMLEKWZLIR-UHFFFAOYSA-N 1 0 509.589 4.535 50 0 KJAARO COc1ccccc1-c1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037359275 554235027 /nfs/dbraw/zinc/23/50/27/554235027.db2.gz UAYZVZMXAVFNAV-UHFFFAOYSA-N 1 0 509.589 4.535 50 0 KJAARO COc1ccc(-n2nc3nc(N4CCC([NH+]5CCCCC5)CC4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037359747 554235084 /nfs/dbraw/zinc/23/50/84/554235084.db2.gz DZAIFNJVFIUPJO-UHFFFAOYSA-N 1 0 501.610 4.667 50 0 KJAARO Cn1nc2nc(N3CC[NH+](CCc4ccccc4)CC3)nc(-c3cccc(Oc4ccccc4)c3)c2c1N ZINC000037375644 554235060 /nfs/dbraw/zinc/23/50/60/554235060.db2.gz JTACKWUYYFNXFS-UHFFFAOYSA-N 1 0 505.626 4.770 50 0 KJAARO Nc1c2c(nn1-c1cc(F)ccc1F)nc(N1CC[NH+](Cc3ccccc3)CC1)nc2-c1cccc(F)c1 ZINC000037375667 554235123 /nfs/dbraw/zinc/23/51/23/554235123.db2.gz SUQMQFHXIPJYCC-UHFFFAOYSA-N 1 0 515.543 4.804 50 0 KJAARO Nc1c2c(nn1-c1cc(F)ccc1F)nc(N1CCC([NH+]3CCCCC3)CC1)nc2-c1cccc(F)c1 ZINC000037377597 554235682 /nfs/dbraw/zinc/23/56/82/554235682.db2.gz HOAAADXPZIHLLQ-UHFFFAOYSA-N 1 0 507.564 4.937 50 0 KJAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccccc2C)c1 ZINC000037426671 554246116 /nfs/dbraw/zinc/24/61/16/554246116.db2.gz LIUVNJOWTLDDPQ-MHZLTWQESA-N 1 0 533.742 4.634 50 0 KJAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccccc2C)c1 ZINC000037426672 554246110 /nfs/dbraw/zinc/24/61/10/554246110.db2.gz LIUVNJOWTLDDPQ-HHHXNRCGSA-N 1 0 533.742 4.634 50 0 KJAARO Cc1cccc([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)c1 ZINC000037427443 554246684 /nfs/dbraw/zinc/24/66/84/554246684.db2.gz BTYDZIWTTSUPSR-HHHXNRCGSA-N 1 0 533.742 4.634 50 0 KJAARO Cc1cccc([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)c1 ZINC000037427444 554246747 /nfs/dbraw/zinc/24/67/47/554246747.db2.gz BTYDZIWTTSUPSR-MHZLTWQESA-N 1 0 533.742 4.634 50 0 KJAARO Cc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(Cc2ccccc2C(=O)NCC[NH+](C)C)c1C ZINC000037427874 554247389 /nfs/dbraw/zinc/24/73/89/554247389.db2.gz MYICKMCQQYQKLD-COOPMVRXSA-N 1 0 505.471 4.554 50 0 KJAARO Cc1s/c(=N\C(=O)c2ccc(Cl)c(Cl)c2)n(Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1C ZINC000037435773 554247795 /nfs/dbraw/zinc/24/77/95/554247795.db2.gz SAOKLUNDDCNFCZ-COOPMVRXSA-N 1 0 505.471 4.554 50 0 KJAARO O=C(NCC[NH+]1CCCCC1)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000037524047 554249981 /nfs/dbraw/zinc/24/99/81/554249981.db2.gz KFUGOPGCQKYDIK-UHFFFAOYSA-N 1 0 503.474 4.608 50 0 KJAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1ccc(F)cc1 ZINC000037524923 554250264 /nfs/dbraw/zinc/25/02/64/554250264.db2.gz HSFXXLJYKWLVGD-UHFFFAOYSA-N 1 0 506.666 4.705 50 0 KJAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1ccccc1F ZINC000037524925 554250256 /nfs/dbraw/zinc/25/02/56/554250256.db2.gz GNRKQRUIUXPEBN-UHFFFAOYSA-N 1 0 506.666 4.705 50 0 KJAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1ccc(F)cc1F ZINC000037525292 554250570 /nfs/dbraw/zinc/25/05/70/554250570.db2.gz FURAVNIWBNFOQC-UHFFFAOYSA-N 1 0 524.656 4.844 50 0 KJAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1cc(F)cc(F)c1 ZINC000037525293 554250585 /nfs/dbraw/zinc/25/05/85/554250585.db2.gz OKFNLRMKFYASBZ-UHFFFAOYSA-N 1 0 524.656 4.844 50 0 KJAARO O=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000037525647 554250599 /nfs/dbraw/zinc/25/05/99/554250599.db2.gz QJAMQRLIYMHIQG-UHFFFAOYSA-N 1 0 516.730 4.885 50 0 KJAARO COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CC[NH+](C4CCCCCC4)CC3)CC2)cc1 ZINC000037525649 554250668 /nfs/dbraw/zinc/25/06/68/554250668.db2.gz JWINCFSTYANLSV-UHFFFAOYSA-N 1 0 518.702 4.575 50 0 KJAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1cccc(F)c1 ZINC000037525651 554250614 /nfs/dbraw/zinc/25/06/14/554250614.db2.gz DUZFJSOTOGRUEY-UHFFFAOYSA-N 1 0 506.666 4.705 50 0 KJAARO Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000037525652 554250558 /nfs/dbraw/zinc/25/05/58/554250558.db2.gz MDOQTSKESFJHRR-UHFFFAOYSA-N 1 0 502.703 4.874 50 0 KJAARO Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CC[NH+](C4CCCCCC4)CC3)CC2)c1 ZINC000037525654 554250660 /nfs/dbraw/zinc/25/06/60/554250660.db2.gz BKKOUEHGOVDNQU-UHFFFAOYSA-N 1 0 502.703 4.874 50 0 KJAARO COc1ccc(C[NH+]2CCC(N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037560545 554251884 /nfs/dbraw/zinc/25/18/84/554251884.db2.gz GRXZMTNWWKMMGO-UHFFFAOYSA-N 1 0 514.619 4.711 50 0 KJAARO COc1cccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000037587799 554253055 /nfs/dbraw/zinc/25/30/55/554253055.db2.gz KCHBAZIZAGHBIF-UHFFFAOYSA-N 1 0 515.031 4.937 50 0 KJAARO CC(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NCC[NH+]4CCCC4)cs3)cc2[C@@H]1c1ccccc1 ZINC000037602371 554254094 /nfs/dbraw/zinc/25/40/94/554254094.db2.gz CSEUDZRKOVUYIN-NDEPHWFRSA-N 1 0 532.710 4.678 50 0 KJAARO CC(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NCC[NH+]4CCCC4)cs3)cc2[C@H]1c1ccccc1 ZINC000037602372 554253993 /nfs/dbraw/zinc/25/39/93/554253993.db2.gz CSEUDZRKOVUYIN-MUUNZHRXSA-N 1 0 532.710 4.678 50 0 KJAARO CC(C)CC(=O)N1CCc2ccc(OCc3nc(C(=O)NCC[NH+](C)C)cs3)cc2[C@@H]1c1ccccc1 ZINC000037602421 554253950 /nfs/dbraw/zinc/25/39/50/554253950.db2.gz GULVFIJLGZLKRC-NDEPHWFRSA-N 1 0 520.699 4.534 50 0 KJAARO CC(C)CC(=O)N1CCc2ccc(OCc3nc(C(=O)NCC[NH+](C)C)cs3)cc2[C@H]1c1ccccc1 ZINC000037602422 554254014 /nfs/dbraw/zinc/25/40/14/554254014.db2.gz GULVFIJLGZLKRC-MUUNZHRXSA-N 1 0 520.699 4.534 50 0 KJAARO CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+]4CCCC4)o3)cc2[C@@H]1c1ccccc1 ZINC000037603925 554255093 /nfs/dbraw/zinc/25/50/93/554255093.db2.gz DSHLPFRHBCOXQC-LJAQVGFWSA-N 1 0 515.654 4.814 50 0 KJAARO CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+]4CCCC4)o3)cc2[C@H]1c1ccccc1 ZINC000037603926 554255084 /nfs/dbraw/zinc/25/50/84/554255084.db2.gz DSHLPFRHBCOXQC-GDLZYMKVSA-N 1 0 515.654 4.814 50 0 KJAARO CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+](C)C)o3)cc2[C@@H]1c1ccc(F)cc1 ZINC000037604743 554256180 /nfs/dbraw/zinc/25/61/80/554256180.db2.gz RMGAIIRJOLDELW-LJAQVGFWSA-N 1 0 521.633 4.809 50 0 KJAARO CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+](C)C)o3)cc2[C@H]1c1ccc(F)cc1 ZINC000037604744 554256149 /nfs/dbraw/zinc/25/61/49/554256149.db2.gz RMGAIIRJOLDELW-GDLZYMKVSA-N 1 0 521.633 4.809 50 0 KJAARO O=C(NCC[NH+]1CCCC1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)C2CC2)CC3)o1 ZINC000037604759 554256229 /nfs/dbraw/zinc/25/62/29/554256229.db2.gz NELSXTFKWQAUQR-GDLZYMKVSA-N 1 0 531.628 4.707 50 0 KJAARO O=C(NCC[NH+]1CCCC1)c1ccc(COc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)C2CC2)CC3)o1 ZINC000037604760 554256160 /nfs/dbraw/zinc/25/61/60/554256160.db2.gz NELSXTFKWQAUQR-LJAQVGFWSA-N 1 0 531.628 4.707 50 0 KJAARO Cc1ccc([C@@H]2c3cc(OCc4ccc(C(=O)NCC[NH+]5CCCC5)o4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037605145 554256567 /nfs/dbraw/zinc/25/65/67/554256567.db2.gz IWQINHJRRXXQGJ-SSEXGKCCSA-N 1 0 527.665 4.877 50 0 KJAARO Cc1ccc([C@H]2c3cc(OCc4ccc(C(=O)NCC[NH+]5CCCC5)o4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037605148 554256548 /nfs/dbraw/zinc/25/65/48/554256548.db2.gz IWQINHJRRXXQGJ-PMERELPUSA-N 1 0 527.665 4.877 50 0 KJAARO CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+](C)C)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000037606317 554257269 /nfs/dbraw/zinc/25/72/69/554257269.db2.gz YMNPHIZKYKHORQ-LJAQVGFWSA-N 1 0 521.633 4.809 50 0 KJAARO CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+](C)C)o3)cc2[C@H]1c1cccc(F)c1 ZINC000037606320 554257319 /nfs/dbraw/zinc/25/73/19/554257319.db2.gz YMNPHIZKYKHORQ-GDLZYMKVSA-N 1 0 521.633 4.809 50 0 KJAARO Cc1ccc([C@@H]2c3cc(OCc4ccc(C(=O)NCC[NH+](C)C)o4)ccc3CCN2C(=O)CC(C)C)cc1 ZINC000037606401 554257350 /nfs/dbraw/zinc/25/73/50/554257350.db2.gz NNOWCWURTIRUMD-SSEXGKCCSA-N 1 0 517.670 4.979 50 0 KJAARO Cc1ccc([C@H]2c3cc(OCc4ccc(C(=O)NCC[NH+](C)C)o4)ccc3CCN2C(=O)CC(C)C)cc1 ZINC000037606403 554257275 /nfs/dbraw/zinc/25/72/75/554257275.db2.gz NNOWCWURTIRUMD-PMERELPUSA-N 1 0 517.670 4.979 50 0 KJAARO CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+]4CCCC4)o3)cc2[C@@H]1c1cccc(C)c1 ZINC000037608400 554257941 /nfs/dbraw/zinc/25/79/41/554257941.db2.gz JWHAFVQUEFXKFD-PMERELPUSA-N 1 0 515.654 4.877 50 0 KJAARO CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+]4CCCC4)o3)cc2[C@H]1c1cccc(C)c1 ZINC000037608403 554257932 /nfs/dbraw/zinc/25/79/32/554257932.db2.gz JWHAFVQUEFXKFD-SSEXGKCCSA-N 1 0 515.654 4.877 50 0 KJAARO COc1ccc(OC)c2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc21 ZINC000038139100 554259028 /nfs/dbraw/zinc/25/90/28/554259028.db2.gz YFXPCYDYMNVYEV-UHFFFAOYSA-N 1 0 594.759 4.659 50 0 KJAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000038139101 554259076 /nfs/dbraw/zinc/25/90/76/554259076.db2.gz NRWWLWPELBICBM-UHFFFAOYSA-N 1 0 536.670 4.738 50 0 KJAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000038139104 554259071 /nfs/dbraw/zinc/25/90/71/554259071.db2.gz LOOVBEZLTBXVKB-UHFFFAOYSA-N 1 0 570.687 4.920 50 0 KJAARO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000038139115 554259112 /nfs/dbraw/zinc/25/91/12/554259112.db2.gz FXCHASBGXIINSJ-UHFFFAOYSA-N 1 0 594.759 4.877 50 0 KJAARO COc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc2c1 ZINC000038139116 554259056 /nfs/dbraw/zinc/25/90/56/554259056.db2.gz LYVJAIGWWOGAHX-UHFFFAOYSA-N 1 0 544.743 4.857 50 0 KJAARO COc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc2c1 ZINC000038139121 554259062 /nfs/dbraw/zinc/25/90/62/554259062.db2.gz BIXDBJFDIGHGHC-UHFFFAOYSA-N 1 0 552.722 4.724 50 0 KJAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1nc2ccc(F)cc2s1 ZINC000038139122 554259016 /nfs/dbraw/zinc/25/90/16/554259016.db2.gz IHSRPYAUDUDXBF-UHFFFAOYSA-N 1 0 538.670 4.785 50 0 KJAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc21 ZINC000038139123 554259046 /nfs/dbraw/zinc/25/90/46/554259046.db2.gz UZERKKDDDPTZCH-UHFFFAOYSA-N 1 0 564.733 4.650 50 0 KJAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2c(cccc2F)s1 ZINC000038139124 554259089 /nfs/dbraw/zinc/25/90/89/554259089.db2.gz CCGFVPDUSVPJFT-UHFFFAOYSA-N 1 0 552.697 4.781 50 0 KJAARO COc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2cc1OC ZINC000038139125 554259085 /nfs/dbraw/zinc/25/90/85/554259085.db2.gz FOMFJYDRJKABAJ-UHFFFAOYSA-N 1 0 594.759 4.659 50 0 KJAARO CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000038139129 554259108 /nfs/dbraw/zinc/25/91/08/554259108.db2.gz RSOUPYFSXLBXAK-UHFFFAOYSA-N 1 0 540.686 4.855 50 0 KJAARO COc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2cc1OC ZINC000038139130 554259103 /nfs/dbraw/zinc/25/91/03/554259103.db2.gz KIQMXPHEBDQQKL-UHFFFAOYSA-N 1 0 574.769 4.865 50 0 KJAARO COc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)sc2cc1OC ZINC000038139134 554259415 /nfs/dbraw/zinc/25/94/15/554259415.db2.gz DJLULCUXDYGRKE-UHFFFAOYSA-N 1 0 580.732 4.663 50 0 KJAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc21 ZINC000038139136 554259410 /nfs/dbraw/zinc/25/94/10/554259410.db2.gz FWMFSKLPPZSMHP-UHFFFAOYSA-N 1 0 544.743 4.858 50 0 KJAARO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000038139148 554259394 /nfs/dbraw/zinc/25/93/94/554259394.db2.gz WSNZTMMXOCBRKK-UHFFFAOYSA-N 1 0 580.732 4.834 50 0 KJAARO CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000038139156 554259344 /nfs/dbraw/zinc/25/93/44/554259344.db2.gz FHTQILZUKLXELX-HXUWFJFHSA-N 1 0 558.726 4.577 50 0 KJAARO CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000038139157 554259379 /nfs/dbraw/zinc/25/93/79/554259379.db2.gz FHTQILZUKLXELX-FQEVSTJZSA-N 1 0 558.726 4.577 50 0 KJAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)s2)cc1 ZINC000038139224 554259578 /nfs/dbraw/zinc/25/95/78/554259578.db2.gz YVXZOTAJKTWZCL-UHFFFAOYSA-N 1 0 551.761 4.548 50 0 KJAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)CC3)s2)cc1 ZINC000038139230 554259566 /nfs/dbraw/zinc/25/95/66/554259566.db2.gz BUWKZODVNIUJHP-QHCPKHFHSA-N 1 0 565.788 4.937 50 0 KJAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)CC3)s2)cc1 ZINC000038139231 554259609 /nfs/dbraw/zinc/25/96/09/554259609.db2.gz BUWKZODVNIUJHP-HSZRJFAPSA-N 1 0 565.788 4.937 50 0 KJAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000038140313 554263095 /nfs/dbraw/zinc/26/30/95/554263095.db2.gz HJAQYOBTYLQGMM-QFIPXVFZSA-N 1 0 532.460 4.800 50 0 KJAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000038140314 554263125 /nfs/dbraw/zinc/26/31/25/554263125.db2.gz HJAQYOBTYLQGMM-JOCHJYFZSA-N 1 0 532.460 4.800 50 0 KJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000038144527 554265925 /nfs/dbraw/zinc/26/59/25/554265925.db2.gz GZSLJBZMAJAIFC-UHFFFAOYSA-N 1 0 566.705 4.839 50 0 KJAARO COc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc2c1 ZINC000038144528 554265917 /nfs/dbraw/zinc/26/59/17/554265917.db2.gz WEEXSQLISBEGAL-UHFFFAOYSA-N 1 0 564.733 4.650 50 0 KJAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2ccc(F)cc2s1 ZINC000038144530 554265931 /nfs/dbraw/zinc/26/59/31/554265931.db2.gz OKTMFRKTDSCKQO-UHFFFAOYSA-N 1 0 552.697 4.781 50 0 KJAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc21 ZINC000038144533 554265929 /nfs/dbraw/zinc/26/59/29/554265929.db2.gz ULYMEGNMFCTJHO-UHFFFAOYSA-N 1 0 548.734 4.950 50 0 KJAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1 ZINC000038144545 554266131 /nfs/dbraw/zinc/26/61/31/554266131.db2.gz AVOROEGEYAGDGQ-UHFFFAOYSA-N 1 0 548.734 4.950 50 0 KJAARO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Cl)cc3s2)cc1 ZINC000038144548 554266151 /nfs/dbraw/zinc/26/61/51/554266151.db2.gz VKGXVQZIUWYFAD-UHFFFAOYSA-N 1 0 529.087 4.983 50 0 KJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000038144550 554266174 /nfs/dbraw/zinc/26/61/74/554266174.db2.gz UTAYQIXEJIPIDN-UHFFFAOYSA-N 1 0 544.649 4.998 50 0 KJAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(/C=C3/Oc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1 ZINC000038146945 554269811 /nfs/dbraw/zinc/26/98/11/554269811.db2.gz BBLGALJJIGEANG-UQRQXUALSA-N 1 0 538.692 4.719 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000038151102 554271735 /nfs/dbraw/zinc/27/17/35/554271735.db2.gz IBSYIUYMCJKTNI-UHFFFAOYSA-N 1 0 528.472 4.644 50 0 KJAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000039541392 1067162511 /nfs/dbraw/zinc/16/25/11/1067162511.db2.gz FCXBRIUQCOWWMG-ZEQRLZLVSA-N 1 0 502.968 4.803 50 0 KJAARO CN1CC[NH+](C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1 ZINC000043195317 554297767 /nfs/dbraw/zinc/29/77/67/554297767.db2.gz UQRCJCNVNUFYDX-UHFFFAOYSA-N 1 0 633.700 4.753 50 0 investigational KJAARO CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)[nH+]cc1C(F)(F)F ZINC000043207772 554298387 /nfs/dbraw/zinc/29/83/87/554298387.db2.gz IGUBBWJDMLCRIK-UHFFFAOYSA-N 1 0 501.509 4.792 50 0 in-vivo KJAARO CC(C)(C)OC(=O)NCCCN(CCCCN(CCC[NH3+])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000044831618 554303728 /nfs/dbraw/zinc/30/37/28/554303728.db2.gz XDUPBDDDCRDPGX-UHFFFAOYSA-N 1 0 502.697 4.504 50 0 KJAARO Nc1c2c(nn1-c1cccc(F)c1)nc(N1CC[NH+](CCc3ccccc3)CC1)nc2-c1ccccc1F ZINC000044854624 554305621 /nfs/dbraw/zinc/30/56/21/554305621.db2.gz SNCKPIIQAOHTQZ-UHFFFAOYSA-N 1 0 511.580 4.708 50 0 KJAARO COc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000045912744 554314034 /nfs/dbraw/zinc/31/40/34/554314034.db2.gz ZJEGEIWGPQRMQB-UHFFFAOYSA-N 1 0 508.688 4.996 50 0 KJAARO COc1ccc(OC)c(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)c1 ZINC000045912748 554313913 /nfs/dbraw/zinc/31/39/13/554313913.db2.gz OCETVEMRFJMRIL-UHFFFAOYSA-N 1 0 508.688 4.996 50 0 KJAARO COc1cc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc(OC)c1 ZINC000045912752 554313931 /nfs/dbraw/zinc/31/39/31/554313931.db2.gz CBTRAXNATBNFIG-UHFFFAOYSA-N 1 0 508.688 4.996 50 0 KJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCCO3)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912760 554314018 /nfs/dbraw/zinc/31/40/18/554314018.db2.gz ILNPEZYDKJXNNI-UHFFFAOYSA-N 1 0 506.672 4.750 50 0 KJAARO CCOc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000045912811 554313940 /nfs/dbraw/zinc/31/39/40/554313940.db2.gz PGRNFFAACFUIQG-UHFFFAOYSA-N 1 0 515.477 4.843 50 0 KJAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000045921540 554314218 /nfs/dbraw/zinc/31/42/18/554314218.db2.gz PCTVSGFCLJYVGM-UHFFFAOYSA-N 1 0 518.525 4.599 50 0 KJAARO CC(C)(C)[NH2+]C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000049774750 554325933 /nfs/dbraw/zinc/32/59/33/554325933.db2.gz WMBNVWVJUNVWED-AWEZNQCLSA-N 1 0 548.206 4.753 50 0 KJAARO CC(C)(C)[NH2+]C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000049774752 554325996 /nfs/dbraw/zinc/32/59/96/554325996.db2.gz WMBNVWVJUNVWED-CQSZACIVSA-N 1 0 548.206 4.753 50 0 KJAARO O=S1(=O)N[C@@]2(CN1CC(F)(F)F)[C@@H]1CC[C@H]2Cc2cc(/C=C/C[NH+]3CCC(C(F)(F)F)CC3)ccc2C1 ZINC000049780562 562681958 /nfs/dbraw/zinc/68/19/58/562681958.db2.gz NKHUILHBYOOZDF-LIORXBOCSA-N 1 0 551.597 4.550 50 0 KJAARO Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)N3CCN(c4ccccc4)CC3)n2n1 ZINC000050861783 554328090 /nfs/dbraw/zinc/32/80/90/554328090.db2.gz DKQUMRBCWDVEBB-UHFFFAOYSA-N 1 0 562.703 4.619 50 0 KJAARO Nc1nc(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2 ZINC000051951669 554329361 /nfs/dbraw/zinc/32/93/61/554329361.db2.gz KXMZDGSRSGHMMK-VWLOTQADSA-N 1 0 506.658 4.882 50 0 investigational KJAARO COc1ccc(S(=O)(=O)N(CCO)c2ccccc2C[N@H+](C)C/C=C/c2ccc(Cl)cc2)cc1 ZINC000053246208 554330048 /nfs/dbraw/zinc/33/00/48/554330048.db2.gz LLLQTDSSHZREGW-AATRIKPKSA-N 1 0 501.048 4.681 50 0 aggregator,in-vitro KJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371675 554347896 /nfs/dbraw/zinc/34/78/96/554347896.db2.gz KNIDSWRBTSFLPK-YMLFONJDSA-N 1 0 522.070 4.881 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371678 554347878 /nfs/dbraw/zinc/34/78/78/554347878.db2.gz KNIDSWRBTSFLPK-CFCWSMIUSA-N 1 0 522.070 4.881 50 0 KJAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(C/C(Cl)=C/c3ccccc3)C2)cc1 ZINC000055052865 554349965 /nfs/dbraw/zinc/34/99/65/554349965.db2.gz NSHVJKREZHZKMR-QVMJDMRHSA-N 1 0 500.108 4.674 50 0 KJAARO COc1cc(OC)cc(C(=O)NCCCOc2cccc(C[NH+]3CCN(c4cccc(C)c4C)CC3)c2)c1 ZINC000055090921 554350313 /nfs/dbraw/zinc/35/03/13/554350313.db2.gz AXRRPWZUGDFSPE-UHFFFAOYSA-N 1 0 517.670 4.842 50 0 KJAARO O=C(Cn1cccn1)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055099440 1067163362 /nfs/dbraw/zinc/16/33/62/1067163362.db2.gz WPAMZYXIHVPCNZ-SANMLTNESA-N 1 0 522.093 4.709 50 0 KJAARO O=C(Cn1cccn1)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055099441 1067163143 /nfs/dbraw/zinc/16/31/43/1067163143.db2.gz WPAMZYXIHVPCNZ-AREMUKBSSA-N 1 0 522.093 4.709 50 0 KJAARO Cc1noc(C)c1CC(=O)N1CCC(Oc2ccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000055166937 554350173 /nfs/dbraw/zinc/35/01/73/554350173.db2.gz CHIGMHCWNZAKMJ-UHFFFAOYSA-N 1 0 523.077 4.880 50 0 KJAARO COc1ccc(C(=O)NCCCOc2cccc(C[NH+]3CCN(c4cccc(C)c4C)CC3)c2)cc1OC ZINC000055182982 1067163380 /nfs/dbraw/zinc/16/33/80/1067163380.db2.gz UKQOSZLREYQHHL-UHFFFAOYSA-N 1 0 517.670 4.842 50 0 KJAARO Cc1nonc1C(=O)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055243844 1067163348 /nfs/dbraw/zinc/16/33/48/1067163348.db2.gz LRWLSUFAOFEEAT-XMMPIXPASA-N 1 0 524.065 4.817 50 0 KJAARO Cc1nonc1C(=O)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055243852 1067163251 /nfs/dbraw/zinc/16/32/51/1067163251.db2.gz LRWLSUFAOFEEAT-DEOSSOPVSA-N 1 0 524.065 4.817 50 0 KJAARO O=C(c1cnsn1)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055307942 1067163370 /nfs/dbraw/zinc/16/33/70/1067163370.db2.gz WCLFPFXYLSVFEV-QHCPKHFHSA-N 1 0 526.106 4.978 50 0 KJAARO O=C(c1cnsn1)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055307949 1067163294 /nfs/dbraw/zinc/16/32/94/1067163294.db2.gz WCLFPFXYLSVFEV-HSZRJFAPSA-N 1 0 526.106 4.978 50 0 KJAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057110907 554352260 /nfs/dbraw/zinc/35/22/60/554352260.db2.gz ZERZQBDBVILFRX-DARZMLDPSA-N 1 0 512.009 4.917 50 0 KJAARO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057111063 554352332 /nfs/dbraw/zinc/35/23/32/554352332.db2.gz VOWQHFSDCCIMFD-BAAZAXTHSA-N 1 0 512.009 4.971 50 0 KJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccccc2Br)c1 ZINC000057222698 554352728 /nfs/dbraw/zinc/35/27/28/554352728.db2.gz AVOZICOKQQFZDG-UHFFFAOYSA-N 1 0 508.416 4.810 50 0 KJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000057222701 554352716 /nfs/dbraw/zinc/35/27/16/554352716.db2.gz WAMGCWFWHBLPEJ-UHFFFAOYSA-N 1 0 508.416 4.810 50 0 KJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000057222761 554352778 /nfs/dbraw/zinc/35/27/78/554352778.db2.gz CGSGMVXGVPFTCP-UHFFFAOYSA-N 1 0 508.018 4.775 50 0 KJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000057222814 554353072 /nfs/dbraw/zinc/35/30/72/554353072.db2.gz MBMVUOCSVGYEJV-UHFFFAOYSA-N 1 0 508.416 4.810 50 0 KJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000057222850 554353019 /nfs/dbraw/zinc/35/30/19/554353019.db2.gz LMQHWQYIDMPKNU-UHFFFAOYSA-N 1 0 501.627 4.936 50 0 KJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000057222940 554353138 /nfs/dbraw/zinc/35/31/38/554353138.db2.gz XVFNUGGJKDFRDK-UHFFFAOYSA-N 1 0 508.018 4.856 50 0 KJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(CC)cc2)c1 ZINC000057222997 554352998 /nfs/dbraw/zinc/35/29/98/554352998.db2.gz UTVCRWHEVNKVTM-UHFFFAOYSA-N 1 0 501.627 4.765 50 0 KJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(C)cc2C)c1 ZINC000057223001 554353171 /nfs/dbraw/zinc/35/31/71/554353171.db2.gz KNEBVCQQCZJBGF-UHFFFAOYSA-N 1 0 501.627 4.820 50 0 KJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000057223003 554353098 /nfs/dbraw/zinc/35/30/98/554353098.db2.gz JJZUYTFHJIJLCU-UHFFFAOYSA-N 1 0 501.627 4.820 50 0 KJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2cccc(C)c2C)c1 ZINC000057223009 554353161 /nfs/dbraw/zinc/35/31/61/554353161.db2.gz PNWMPBZOBWOLLV-UHFFFAOYSA-N 1 0 501.627 4.820 50 0 KJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccccc2Cl)c1 ZINC000057227582 554353126 /nfs/dbraw/zinc/35/31/26/554353126.db2.gz GKDGUIXCSQKOPS-UHFFFAOYSA-N 1 0 508.018 4.856 50 0 KJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=S)NC(=O)c2cccc(Cl)c2)c1 ZINC000057233533 554353181 /nfs/dbraw/zinc/35/31/81/554353181.db2.gz SJURESJMTLQUOR-UHFFFAOYSA-N 1 0 523.058 4.576 50 0 KJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=S)NC(=O)c2ccccc2C)c1 ZINC000057233536 554353483 /nfs/dbraw/zinc/35/34/83/554353483.db2.gz XXFNQOLQTWYWPL-UHFFFAOYSA-N 1 0 516.667 4.621 50 0 KJAARO Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000057264331 554353349 /nfs/dbraw/zinc/35/33/49/554353349.db2.gz ORLRHJOTZVBSTJ-UHFFFAOYSA-N 1 0 518.459 4.953 50 0 KJAARO Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000057264364 554353469 /nfs/dbraw/zinc/35/34/69/554353469.db2.gz CKQZGLZKKIVQLJ-UHFFFAOYSA-N 1 0 504.034 4.609 50 0 KJAARO Cn1c(CC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000057264485 554353366 /nfs/dbraw/zinc/35/33/66/554353366.db2.gz DGEVSCAUVOZESG-UHFFFAOYSA-N 1 0 522.024 4.748 50 0 KJAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4cccc5c4C(=O)N(C[C@@H]4CCCO4)C5=O)CC3)ccc21 ZINC000059343253 1066488768 /nfs/dbraw/zinc/48/87/68/1066488768.db2.gz KCXKTRFVRAICHP-QHCPKHFHSA-N 1 0 522.649 4.912 50 0 KJAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4cccc5c4C(=O)N(C[C@H]4CCCO4)C5=O)CC3)ccc21 ZINC000059343257 1066488862 /nfs/dbraw/zinc/48/88/62/1066488862.db2.gz KCXKTRFVRAICHP-HSZRJFAPSA-N 1 0 522.649 4.912 50 0 KJAARO O=C(Cc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000059513595 554400715 /nfs/dbraw/zinc/40/07/15/554400715.db2.gz SYQZTVLPKOJXGL-UHFFFAOYSA-N 1 0 548.112 4.573 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3c2)CC1 ZINC000059515187 554402883 /nfs/dbraw/zinc/40/28/83/554402883.db2.gz OKUYPGBJDCEYTB-QHCPKHFHSA-N 1 0 549.741 4.712 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)c3c2)CC1 ZINC000059515188 554402766 /nfs/dbraw/zinc/40/27/66/554402766.db2.gz OKUYPGBJDCEYTB-HSZRJFAPSA-N 1 0 549.741 4.712 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3c2)CC1 ZINC000059524243 554405336 /nfs/dbraw/zinc/40/53/36/554405336.db2.gz BHNNGKSKRGNTNF-QHCPKHFHSA-N 1 0 549.741 4.712 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)c3c2)CC1 ZINC000059524250 554405352 /nfs/dbraw/zinc/40/53/52/554405352.db2.gz BHNNGKSKRGNTNF-HSZRJFAPSA-N 1 0 549.741 4.712 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)c3c2)CC1 ZINC000059524263 554405399 /nfs/dbraw/zinc/40/53/99/554405399.db2.gz SLHCWYGXJRIGAT-PSWAGMNNSA-N 1 0 563.768 4.815 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)c3c2)CC1 ZINC000059524270 554405326 /nfs/dbraw/zinc/40/53/26/554405326.db2.gz SLHCWYGXJRIGAT-ZEQRLZLVSA-N 1 0 563.768 4.815 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)c3c2)CC1 ZINC000059524276 554405349 /nfs/dbraw/zinc/40/53/49/554405349.db2.gz SLHCWYGXJRIGAT-DNQXCXABSA-N 1 0 563.768 4.815 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[NH+]4CCC(C)CC4)c3c2)CC1 ZINC000059524281 554405365 /nfs/dbraw/zinc/40/53/65/554405365.db2.gz AQZKBOFCCWXGJW-UHFFFAOYSA-N 1 0 549.741 4.569 50 0 KJAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000059525407 554406216 /nfs/dbraw/zinc/40/62/16/554406216.db2.gz PBQFUVYEJDZENJ-FQLXRVMXSA-N 1 0 547.099 4.588 50 0 KJAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000059525411 554406451 /nfs/dbraw/zinc/40/64/51/554406451.db2.gz PBQFUVYEJDZENJ-WDYNHAJCSA-N 1 0 547.099 4.588 50 0 KJAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000059525415 554406414 /nfs/dbraw/zinc/40/64/14/554406414.db2.gz PBQFUVYEJDZENJ-URLMMPGGSA-N 1 0 547.099 4.588 50 0 KJAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000059525419 554406463 /nfs/dbraw/zinc/40/64/63/554406463.db2.gz PBQFUVYEJDZENJ-VMPREFPWSA-N 1 0 547.099 4.588 50 0 KJAARO O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000059873717 554456596 /nfs/dbraw/zinc/45/65/96/554456596.db2.gz HSEQQLZPNLGJNY-IBGZPJMESA-N 1 0 559.407 4.628 50 0 KJAARO O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000059873719 554456712 /nfs/dbraw/zinc/45/67/12/554456712.db2.gz HSEQQLZPNLGJNY-LJQANCHMSA-N 1 0 559.407 4.628 50 0 KJAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1 ZINC000060209255 554502964 /nfs/dbraw/zinc/50/29/64/554502964.db2.gz NCVNNCMXHRRQRD-UHFFFAOYSA-N 1 0 550.706 4.655 50 0 KJAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)sc2c1 ZINC000060209286 554503049 /nfs/dbraw/zinc/50/30/49/554503049.db2.gz NSHOEUGNGVYYNY-UHFFFAOYSA-N 1 0 550.706 4.655 50 0 KJAARO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3Cl)s2)cc1 ZINC000060209422 554503131 /nfs/dbraw/zinc/50/31/31/554503131.db2.gz FFMUPZRNZQMRKS-UHFFFAOYSA-N 1 0 529.087 4.983 50 0 KJAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc21 ZINC000060209586 554503385 /nfs/dbraw/zinc/50/33/85/554503385.db2.gz CUHQUFKDOJWHTP-UHFFFAOYSA-N 1 0 538.695 4.647 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209680 554503424 /nfs/dbraw/zinc/50/34/24/554503424.db2.gz FAYBNHPQHBGVOI-UHFFFAOYSA-N 1 0 544.743 4.858 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209686 554503441 /nfs/dbraw/zinc/50/34/41/554503441.db2.gz NSCCSILAAIBZHX-OYRHEFFESA-N 1 0 558.770 4.960 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209687 554503353 /nfs/dbraw/zinc/50/33/53/554503353.db2.gz NSCCSILAAIBZHX-SFTDATJTSA-N 1 0 558.770 4.960 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209688 554503854 /nfs/dbraw/zinc/50/38/54/554503854.db2.gz NSCCSILAAIBZHX-NHCUHLMSSA-N 1 0 558.770 4.960 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccc(Br)cc2s1 ZINC000060209806 554503807 /nfs/dbraw/zinc/50/38/07/554503807.db2.gz GAWWYYVHEXLQDG-UHFFFAOYSA-N 1 0 565.559 4.832 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2c(cccc2OC)s1 ZINC000060209907 554503838 /nfs/dbraw/zinc/50/38/38/554503838.db2.gz JYSLZVYAFGVQJV-UHFFFAOYSA-N 1 0 544.743 4.858 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCO2)cc1)c1nc2c(cccc2Cl)s1 ZINC000060210028 554503664 /nfs/dbraw/zinc/50/36/64/554503664.db2.gz IMADCLRDILVGLO-FQEVSTJZSA-N 1 0 565.161 4.738 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCO2)cc1)c1nc2c(cccc2Cl)s1 ZINC000060210029 554503701 /nfs/dbraw/zinc/50/37/01/554503701.db2.gz IMADCLRDILVGLO-HXUWFJFHSA-N 1 0 565.161 4.738 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210035 554503679 /nfs/dbraw/zinc/50/36/79/554503679.db2.gz ADWMAUJHNZPWOR-UHFFFAOYSA-N 1 0 558.726 4.578 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210059 554503920 /nfs/dbraw/zinc/50/39/20/554503920.db2.gz DASDFRGJQSBBHA-UHFFFAOYSA-N 1 0 580.732 4.834 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210073 554504127 /nfs/dbraw/zinc/50/41/27/554504127.db2.gz NCEDRTXFFMUTOY-UHFFFAOYSA-N 1 0 572.753 4.621 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210081 554503926 /nfs/dbraw/zinc/50/39/26/554503926.db2.gz VCMLCTCBSQXNFM-OYRHEFFESA-N 1 0 586.780 4.723 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210082 554503968 /nfs/dbraw/zinc/50/39/68/554503968.db2.gz VCMLCTCBSQXNFM-SFTDATJTSA-N 1 0 586.780 4.723 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210083 554504010 /nfs/dbraw/zinc/50/40/10/554504010.db2.gz VCMLCTCBSQXNFM-NHCUHLMSSA-N 1 0 586.780 4.723 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210090 554503916 /nfs/dbraw/zinc/50/39/16/554503916.db2.gz OTPKLCQVHQMUFI-FQEVSTJZSA-N 1 0 572.753 4.619 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210091 554504078 /nfs/dbraw/zinc/50/40/78/554504078.db2.gz OTPKLCQVHQMUFI-HXUWFJFHSA-N 1 0 572.753 4.619 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210099 554504146 /nfs/dbraw/zinc/50/41/46/554504146.db2.gz QCQFKAWCBCDHCG-UHFFFAOYSA-N 1 0 594.759 4.877 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc(OC)ccc2s1 ZINC000060210153 554503930 /nfs/dbraw/zinc/50/39/30/554503930.db2.gz WDEMENCOOUNRSI-UHFFFAOYSA-N 1 0 544.743 4.858 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000060210320 554503958 /nfs/dbraw/zinc/50/39/58/554503958.db2.gz XBOZSUPTDMFXLV-UHFFFAOYSA-N 1 0 574.769 4.867 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000060210338 554504513 /nfs/dbraw/zinc/50/45/13/554504513.db2.gz QMHJYLZZGSHLCF-FQEVSTJZSA-N 1 0 574.769 4.865 50 0 KJAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000060210339 554504504 /nfs/dbraw/zinc/50/45/04/554504504.db2.gz QMHJYLZZGSHLCF-HXUWFJFHSA-N 1 0 574.769 4.865 50 0 KJAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954442 554505899 /nfs/dbraw/zinc/50/58/99/554505899.db2.gz QEBRGKUXJSEWSI-GYOFENNSSA-N 1 0 521.617 4.717 50 0 KJAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954553 554505788 /nfs/dbraw/zinc/50/57/88/554505788.db2.gz SFJVDJKWVJXRMO-GYOFENNSSA-N 1 0 521.617 4.717 50 0 KJAARO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000061999375 554506293 /nfs/dbraw/zinc/50/62/93/554506293.db2.gz KIFGDSAGXGCPDB-JZMUPVMCSA-N 1 0 503.558 4.756 50 0 biogenic KJAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)[NH2+][C@]12C(=O)Nc1ccc(Br)cc12 ZINC000061999541 554506362 /nfs/dbraw/zinc/50/63/62/554506362.db2.gz NLTNHGAFDDAGFA-JCEJCQQGSA-N 1 0 506.828 4.921 50 0 biogenic KJAARO CCc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@@H+]4CCCC[C@@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000064438856 554510785 /nfs/dbraw/zinc/51/07/85/554510785.db2.gz ZOPHNQAKAFQNFV-IBGZPJMESA-N 1 0 511.740 4.657 50 0 KJAARO CCc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[NH+]4CCCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064703797 554513966 /nfs/dbraw/zinc/51/39/66/554513966.db2.gz QRFLZKGGNLNGDY-UHFFFAOYSA-N 1 0 511.740 4.659 50 0 KJAARO CCc1ccc(-c2nc3sc(N(C)CC(=O)NCC[C@@H](C)[NH+]4CCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064703812 554513947 /nfs/dbraw/zinc/51/39/47/554513947.db2.gz UJUBVPXDICLZQX-LJQANCHMSA-N 1 0 511.740 4.657 50 0 KJAARO CCc1ccc(-c2nc3sc(N(C)CC(=O)NCC[C@H](C)[NH+]4CCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064703814 554514387 /nfs/dbraw/zinc/51/43/87/554514387.db2.gz UJUBVPXDICLZQX-IBGZPJMESA-N 1 0 511.740 4.657 50 0 KJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703933 554514312 /nfs/dbraw/zinc/51/43/12/554514312.db2.gz GJDYRJRMQXQTHC-GOSISDBHSA-N 1 0 515.703 4.624 50 0 KJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703935 554514304 /nfs/dbraw/zinc/51/43/04/554514304.db2.gz GJDYRJRMQXQTHC-SFHVURJKSA-N 1 0 515.703 4.624 50 0 KJAARO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[NH+]4CCCCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064704130 554514642 /nfs/dbraw/zinc/51/46/42/554514642.db2.gz GTXFYFUNXKZQRR-UHFFFAOYSA-N 1 0 511.740 4.795 50 0 KJAARO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[N@H+]4CCCC[C@@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000064704132 554514659 /nfs/dbraw/zinc/51/46/59/554514659.db2.gz YITFXEQZEFRMHX-FQEVSTJZSA-N 1 0 511.740 4.794 50 0 KJAARO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@H+](C)Cc4ccccc4)nn3c2NC(C)(C)C)cc1 ZINC000064704137 554514633 /nfs/dbraw/zinc/51/46/33/554514633.db2.gz XCSIRUFEAUUMLS-UHFFFAOYSA-N 1 0 519.719 4.661 50 0 KJAARO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[N@H+]4CCC[C@H](C)C4)nn3c2NC(C)(C)C)cc1 ZINC000064704146 554514609 /nfs/dbraw/zinc/51/46/09/554514609.db2.gz OHISDGPSAARFFM-FQEVSTJZSA-N 1 0 511.740 4.651 50 0 KJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704274 554514864 /nfs/dbraw/zinc/51/48/64/554514864.db2.gz YNVDAKIAPNNHDF-GOSISDBHSA-N 1 0 515.703 4.624 50 0 KJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704276 554514822 /nfs/dbraw/zinc/51/48/22/554514822.db2.gz YNVDAKIAPNNHDF-SFHVURJKSA-N 1 0 515.703 4.624 50 0 KJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC2CCCC2)s1 ZINC000064704307 554514930 /nfs/dbraw/zinc/51/49/30/554514930.db2.gz SUUIVLJCJFFGLJ-HXUWFJFHSA-N 1 0 509.724 4.629 50 0 KJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC2CCCC2)s1 ZINC000064704309 554514831 /nfs/dbraw/zinc/51/48/31/554514831.db2.gz SUUIVLJCJFFGLJ-FQEVSTJZSA-N 1 0 509.724 4.629 50 0 KJAARO CN(CC(=O)N1CC[NH+](C2CCCCC2)CC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704360 554514840 /nfs/dbraw/zinc/51/48/40/554514840.db2.gz UCLIQDCHWATWMO-UHFFFAOYSA-N 1 0 509.724 4.581 50 0 KJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704443 554514880 /nfs/dbraw/zinc/51/48/80/554514880.db2.gz UJAKDPWYAWCMGC-OAQYLSRUSA-N 1 0 511.740 4.875 50 0 KJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704446 554514948 /nfs/dbraw/zinc/51/49/48/554514948.db2.gz UJAKDPWYAWCMGC-NRFANRHFSA-N 1 0 511.740 4.875 50 0 KJAARO C[C@@H](CCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1)[NH+]1CCCCCC1 ZINC000064704483 554514912 /nfs/dbraw/zinc/51/49/12/554514912.db2.gz YHPIYEHKVYPBKF-FQEVSTJZSA-N 1 0 511.740 4.875 50 0 KJAARO C[C@H](CCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1)[NH+]1CCCCCC1 ZINC000064704486 554514860 /nfs/dbraw/zinc/51/48/60/554514860.db2.gz YHPIYEHKVYPBKF-HXUWFJFHSA-N 1 0 511.740 4.875 50 0 KJAARO COc1ccc(C)c2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc21 ZINC000064712081 554515203 /nfs/dbraw/zinc/51/52/03/554515203.db2.gz OESJHZIJTQVTCK-UHFFFAOYSA-N 1 0 578.760 4.959 50 0 KJAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000064816757 554517435 /nfs/dbraw/zinc/51/74/35/554517435.db2.gz FGLOHRORJDYPFP-UHFFFAOYSA-N 1 0 506.050 4.746 50 0 KJAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000064816842 554517742 /nfs/dbraw/zinc/51/77/42/554517742.db2.gz HSDCSADMUWVBGW-UHFFFAOYSA-N 1 0 506.050 4.746 50 0 KJAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000064816843 554517747 /nfs/dbraw/zinc/51/77/47/554517747.db2.gz KBVGAXOUHPAUPN-UHFFFAOYSA-N 1 0 506.050 4.746 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000066123895 554528497 /nfs/dbraw/zinc/52/84/97/554528497.db2.gz CIXYZNFDMNWESE-UHFFFAOYSA-N 1 0 528.472 4.644 50 0 KJAARO CC[NH+]1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3sc4ccccc4c32)CC1 ZINC000066252476 554529734 /nfs/dbraw/zinc/52/97/34/554529734.db2.gz FKOYASIKYGJOEG-UHFFFAOYSA-N 1 0 581.742 4.976 50 0 KJAARO O=C(c1cn2ccccc2n1)N1CCC(Oc2ccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000067803656 554533788 /nfs/dbraw/zinc/53/37/88/554533788.db2.gz GNKSIWVQDBETPO-UHFFFAOYSA-N 1 0 530.072 4.994 50 0 KJAARO CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)C[NH+](C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl ZINC000068151184 554538544 /nfs/dbraw/zinc/53/85/44/554538544.db2.gz WHMXDBPHBVLYRC-OFVILXPXSA-N 1 0 592.140 4.514 50 0 in-vitro KJAARO Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccnc(N2CC[NH+](C3CC3)CC2)c1 ZINC000068206550 554538360 /nfs/dbraw/zinc/53/83/60/554538360.db2.gz CDJNNOJINJAXPV-UHFFFAOYSA-N 1 0 525.535 4.535 50 0 KJAARO CCc1cc2c(cc1OC(=O)[C@H](N)Cc1ccc(O)cc1)oc([C@H]([NH3+])Cc1ccc(O)cc1)c(-c1nc(C)cs1)c2=O ZINC000070664754 553594950 /nfs/dbraw/zinc/59/49/50/553594950.db2.gz ACHXXXBSHHVADS-JWQCQUIFSA-N 1 0 585.682 4.916 50 0 biogenic KJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3cc(OC)c(OC)c(OC)c3)c(=O)cc21 ZINC000070669856 553599272 /nfs/dbraw/zinc/59/92/72/553599272.db2.gz BNUVRLGTFNIDFK-NRFANRHFSA-N 1 0 536.625 4.584 50 0 biogenic KJAARO C[C@]12C(=O)N(c3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000070687714 553607313 /nfs/dbraw/zinc/60/73/13/553607313.db2.gz AMIBEVVVRJNAST-XIFFEERXSA-N 1 0 547.659 4.802 50 0 biogenic KJAARO C[C@]12C(=O)N(c3ccccc3C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000070687908 553607799 /nfs/dbraw/zinc/60/77/99/553607799.db2.gz NPTAJGOLJKDSKV-XIFFEERXSA-N 1 0 547.659 4.802 50 0 biogenic KJAARO CCCOc1ccc([C@@H]2CN3C(=O)CN(CCC[NH+](CC)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070692199 553610138 /nfs/dbraw/zinc/61/01/38/553610138.db2.gz PKQOAXLKFOJMFA-BNHRFMORSA-N 1 0 546.712 4.729 50 0 biogenic KJAARO CCCOc1ccc([C@H]2CN3C(=O)CN(CCC[NH+](CC)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070692200 553610168 /nfs/dbraw/zinc/61/01/68/553610168.db2.gz PKQOAXLKFOJMFA-QNLPTKCRSA-N 1 0 546.712 4.729 50 0 biogenic KJAARO COc1ccccc1[C@@H]1CN2C(=O)CN(C3CC[NH+](Cc4ccccc4)CC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070698474 553614505 /nfs/dbraw/zinc/61/45/05/553614505.db2.gz QOSAGSFGFPELJQ-FOPBOCKXSA-N 1 0 548.687 4.873 50 0 biogenic KJAARO COc1ccccc1[C@H]1CN2C(=O)CN(C3CC[NH+](Cc4ccccc4)CC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070698477 553614526 /nfs/dbraw/zinc/61/45/26/553614526.db2.gz QOSAGSFGFPELJQ-YJNPBZNESA-N 1 0 548.687 4.873 50 0 biogenic KJAARO COc1cc2c(c(OC)c1OC)-c1ccc(NC3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070698927 553615292 /nfs/dbraw/zinc/61/52/92/553615292.db2.gz ZCGHVWBUJIOHPL-MHZLTWQESA-N 1 0 557.691 4.940 50 0 biogenic KJAARO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699063 553615599 /nfs/dbraw/zinc/61/55/99/553615599.db2.gz AWOZPBVCZRXSKJ-NFLLHDQJSA-N 1 0 521.617 4.798 50 0 biogenic KJAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(=O)OC)cc2)C1=O ZINC000070699850 553617096 /nfs/dbraw/zinc/61/70/96/553617096.db2.gz SUQHXKMDSNDPML-IZEXYCQBSA-N 1 0 558.723 4.932 50 0 biogenic KJAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2[C@H](c3ccc(C(=O)OC)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000070699852 553617398 /nfs/dbraw/zinc/61/73/98/553617398.db2.gz SUQHXKMDSNDPML-QCENPCRXSA-N 1 0 558.723 4.932 50 0 biogenic KJAARO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070700976 553619910 /nfs/dbraw/zinc/61/99/10/553619910.db2.gz BTTZRLPNQOHRLG-BYSIJJKSSA-N 1 0 542.433 4.772 50 0 biogenic KJAARO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000070701156 553620828 /nfs/dbraw/zinc/62/08/28/553620828.db2.gz BCYGFGJGDNMXCV-BANVDVKSSA-N 1 0 521.617 4.797 50 0 biogenic KJAARO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070701206 553621184 /nfs/dbraw/zinc/62/11/84/553621184.db2.gz MUMNJMRRHCKHIQ-BANVDVKSSA-N 1 0 521.617 4.798 50 0 biogenic KJAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070706628 553628252 /nfs/dbraw/zinc/62/82/52/553628252.db2.gz YWRRMKCECVYWLV-XZSHTLEFSA-N 1 0 553.018 4.500 50 0 biogenic KJAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070706630 553628277 /nfs/dbraw/zinc/62/82/77/553628277.db2.gz YWRRMKCECVYWLV-GURVGDRESA-N 1 0 553.018 4.500 50 0 biogenic KJAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070706632 553628585 /nfs/dbraw/zinc/62/85/85/553628585.db2.gz YWRRMKCECVYWLV-PCEYSVKOSA-N 1 0 553.018 4.500 50 0 biogenic KJAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070706636 553628602 /nfs/dbraw/zinc/62/86/02/553628602.db2.gz YWRRMKCECVYWLV-ZGQJUUMOSA-N 1 0 553.018 4.500 50 0 biogenic KJAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000072173134 553645214 /nfs/dbraw/zinc/64/52/14/553645214.db2.gz RKOSERSRNKFCCZ-UHFFFAOYSA-N 1 0 538.069 4.549 50 0 KJAARO Cc1cn2cc(CC(=O)N3CCC4(C[NH+]([C@@H]5CCc6cc(-c7cc(C)ncn7)ccc65)C4)CC3)nc2s1 ZINC000072317087 553647359 /nfs/dbraw/zinc/64/73/59/553647359.db2.gz ZIUDADZJCKGWKR-AREMUKBSSA-N 1 0 512.683 4.624 50 0 in-vitro KJAARO CC[NH+]1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc5c(nc(C)n5C(C)C)c(F)c4)n3)nc2)CC1 ZINC000072318121 553647433 /nfs/dbraw/zinc/64/74/33/553647433.db2.gz UZWDCWONPYILKI-UHFFFAOYSA-N 1 0 506.605 4.937 50 0 fda KJAARO CC[C@H](C)n1cc(C)c2c1cc(-c1ccc(N3CC[NH2+]CC3)nc1)cc2C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000072318146 553647370 /nfs/dbraw/zinc/64/73/70/553647370.db2.gz FKSFKBQGSFSOSM-QFIPXVFZSA-N 1 0 526.685 4.627 50 0 in-vitro KJAARO Cc1cn(C(C)C)c2cc(-c3ccc(N4CC[NH+](C)CC4)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12 ZINC000072318149 553647424 /nfs/dbraw/zinc/64/74/24/553647424.db2.gz HRDQQHUKUIKFHT-UHFFFAOYSA-N 1 0 526.685 4.580 50 0 in-vitro KJAARO Cn1cc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)cc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c1=O ZINC000072319591 553647470 /nfs/dbraw/zinc/64/74/70/553647470.db2.gz ZTUJNJAKTLHBEX-UHFFFAOYSA-N 1 0 606.702 4.756 50 0 in-vitro KJAARO CCCCc1cc(=O)oc2c3c(cc(OCC(=O)NC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c12)OC(C)(C)CC3 ZINC000079189720 553667358 /nfs/dbraw/zinc/66/73/58/553667358.db2.gz TWPYQZNXKNCYSC-JTHBVZDNSA-N 1 0 510.675 4.999 50 0 biogenic KJAARO CC1(C)CCc2c(cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000079192222 553668348 /nfs/dbraw/zinc/66/83/48/553668348.db2.gz GZTMGTFVVIZYLG-WMZHIEFXSA-N 1 0 508.659 4.535 50 0 biogenic KJAARO CC(C)Oc1ccc(C(=O)N[C@H](C[NH3+])Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl ZINC000085221415 553678259 /nfs/dbraw/zinc/67/82/59/553678259.db2.gz PCYDNGGBZWDDLU-AVRDEDQJSA-N 1 0 507.034 4.795 50 0 KJAARO C[NH+]1CCN(Cc2cn(-c3ccc(I)cc3)c3ccc(Br)cc23)CC1 ZINC000085389292 553678867 /nfs/dbraw/zinc/67/88/67/553678867.db2.gz DHQCGDCPRGETKV-UHFFFAOYSA-N 1 0 510.217 4.745 50 0 KJAARO Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CC[NH+](C)C)C(=O)c2ccccc2F)c1 ZINC000085405203 553679692 /nfs/dbraw/zinc/67/96/92/553679692.db2.gz BIVSYSQSSVWTHT-UHFFFAOYSA-N 1 0 505.011 4.759 50 0 KJAARO Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(F)c2)c1 ZINC000085405221 553679724 /nfs/dbraw/zinc/67/97/24/553679724.db2.gz KIWUOGXHZHUMES-UHFFFAOYSA-N 1 0 505.011 4.759 50 0 KJAARO Cc1cc(NC(=O)c2cccc(NC(=O)/C=C/C[NH+](C)C)c2)ccc1Nc1nccc(-c2cccnc2)n1 ZINC000089464842 553693819 /nfs/dbraw/zinc/69/38/19/553693819.db2.gz GJFCSAPFHAXMSF-UXBLZVDNSA-N 1 0 507.598 4.899 50 0 in-vitro KJAARO Cc1ccc(CNC(=O)CCCCCN2CC[NH+](CCCCCC(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000091302241 553695138 /nfs/dbraw/zinc/69/51/38/553695138.db2.gz LKOYHGGYKKJWOZ-UHFFFAOYSA-N 1 0 520.762 4.974 50 0 KJAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCOCC1 ZINC000095742884 553712419 /nfs/dbraw/zinc/71/24/19/553712419.db2.gz XKJCZDUBZTXXJX-CQSZACIVSA-N 1 0 547.085 4.775 50 0 KJAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCOCC1 ZINC000095742886 553712438 /nfs/dbraw/zinc/71/24/38/553712438.db2.gz XKJCZDUBZTXXJX-AWEZNQCLSA-N 1 0 547.085 4.775 50 0 KJAARO CCOC(=O)c1c2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2n(-c2ccccc2)c1CN1CC[NH+](C)CC1 ZINC000095763200 553713172 /nfs/dbraw/zinc/71/31/72/553713172.db2.gz ASVHIXQPSDYYMK-UHFFFAOYSA-N 1 0 547.677 4.631 50 0 KJAARO CSCC[NH+]1CCN(c2nnc3n2-c2sc(Br)cc2C(c2ccccc2Cl)=NC3)CC1 ZINC000095870369 553714381 /nfs/dbraw/zinc/71/43/81/553714381.db2.gz CTDPRWDUCNFUFK-UHFFFAOYSA-N 1 0 537.940 4.581 50 0 KJAARO CCN1C(=O)N(CC(=O)N(CC[NH+](C(C)C)C(C)C)C(C)C)C(c2ccccc2)(c2ccccc2)C1=O ZINC000095918147 553714992 /nfs/dbraw/zinc/71/49/92/553714992.db2.gz CNFZZDQXHDMQNN-UHFFFAOYSA-N 1 0 506.691 4.570 50 0 KJAARO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1I ZINC000095938056 553715318 /nfs/dbraw/zinc/71/53/18/553715318.db2.gz GQJNOOSFYQAIMI-UHFFFAOYSA-N 1 0 517.333 4.618 50 0 KJAARO Cn1c2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000096019743 553716590 /nfs/dbraw/zinc/71/65/90/553716590.db2.gz JOCCLQSFBDIEJJ-UHFFFAOYSA-N 1 0 609.781 4.737 50 0 KJAARO Cn1c2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)n(C)c1=O ZINC000096019870 553716864 /nfs/dbraw/zinc/71/68/64/553716864.db2.gz PIXNNJRTPJHDNG-UHFFFAOYSA-N 1 0 623.808 4.747 50 0 KJAARO CCCSc1ccccc1N1CC[NH+](CCCCNC(=O)n2c(=O)[nH]c3ccc(Cl)cc32)CC1 ZINC000096027675 553723561 /nfs/dbraw/zinc/72/35/61/553723561.db2.gz HUYPMHFXMKRVRU-UHFFFAOYSA-N 1 0 502.084 4.645 50 0 KJAARO Cc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1C ZINC000096095961 553724110 /nfs/dbraw/zinc/72/41/10/553724110.db2.gz PXYBQTJVLKGRST-COOPMVRXSA-N 1 0 505.471 4.554 50 0 KJAARO Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)NC(C)(C)C)cc1 ZINC000096211726 553729846 /nfs/dbraw/zinc/72/98/46/553729846.db2.gz CSLVPOWLIXNEGX-UHFFFAOYSA-N 1 0 511.070 4.811 50 0 KJAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000096279599 553736300 /nfs/dbraw/zinc/73/63/00/553736300.db2.gz VRCDQAVFNXGNAJ-MHZLTWQESA-N 1 0 533.742 4.634 50 0 KJAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000096279600 553736264 /nfs/dbraw/zinc/73/62/64/553736264.db2.gz VRCDQAVFNXGNAJ-HHHXNRCGSA-N 1 0 533.742 4.634 50 0 KJAARO Cc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)c2cccc(CC(=O)NCC[NH+]3CCCCC3)c2)cc1 ZINC000096281124 553737180 /nfs/dbraw/zinc/73/71/80/553737180.db2.gz LQSJOYOIALZAPQ-UHFFFAOYSA-N 1 0 513.638 4.715 50 0 KJAARO COCCN1CCN(C(=O)c2csc(-c3ccc(OCc4cccc(C(F)(F)F)c4)cc3F)n2)CC1 ZINC000096281637 553737414 /nfs/dbraw/zinc/73/74/14/553737414.db2.gz VPUKGHOPZUHGPV-UHFFFAOYSA-N 1 0 523.552 4.951 50 0 KJAARO Cc1cc(NC(=O)c2cccc(NC(=O)/C=C\C[NH+](C)C)c2)ccc1Nc1nccc(-c2cccnc2)n1 ZINC000096300018 553748731 /nfs/dbraw/zinc/74/87/31/553748731.db2.gz GJFCSAPFHAXMSF-POHAHGRESA-N 1 0 507.598 4.899 50 0 KJAARO CCc1cc2c(cc1OC(=O)[C@H](N)CCSC)oc([C@H]([NH3+])CCSC)c(-c1nc(C)cs1)c2=O ZINC000097495033 553758945 /nfs/dbraw/zinc/75/89/45/553758945.db2.gz TUYRGSHHJWPQHN-IAGOWNOFSA-N 1 0 521.730 4.526 50 0 biogenic KJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC)c(Br)c2)c1 ZINC000097945892 553775186 /nfs/dbraw/zinc/77/51/86/553775186.db2.gz SUJBAFHZIUGOII-UHFFFAOYSA-N 1 0 538.442 4.819 50 0 KJAARO O=C(NCCCN1CC[NH+](CCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000097947923 553789788 /nfs/dbraw/zinc/78/97/88/553789788.db2.gz MBDLXBJBJHPIAA-UHFFFAOYSA-N 1 0 546.326 4.858 50 0 KJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=S)NC(=O)c2cccc(C)c2OC)c1 ZINC000097947950 553789998 /nfs/dbraw/zinc/78/99/98/553789998.db2.gz YCPQJKHQFNPIJZ-UHFFFAOYSA-N 1 0 546.693 4.629 50 0 KJAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000097952047 553812808 /nfs/dbraw/zinc/81/28/08/553812808.db2.gz IWVSVOIHAUWONF-UHFFFAOYSA-N 1 0 533.854 4.911 50 0 KJAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097952481 553816084 /nfs/dbraw/zinc/81/60/84/553816084.db2.gz JAHVMYBNTGJNAQ-UHFFFAOYSA-N 1 0 548.562 4.531 50 0 KJAARO Cc1nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)nc(N2CCN(C/C=C/c3ccccc3)CC2)c1C ZINC000097956129 553836336 /nfs/dbraw/zinc/83/63/36/553836336.db2.gz QUPDETGGUWJXRB-UKTHLTGXSA-N 1 0 544.769 4.513 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000097961285 553876575 /nfs/dbraw/zinc/87/65/75/553876575.db2.gz HIWHXHSESLOOGQ-OQKWZONESA-N 1 0 530.046 4.904 50 0 KJAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097963580 553892009 /nfs/dbraw/zinc/89/20/09/553892009.db2.gz HPMKKACQZNNZQG-UHFFFAOYSA-N 1 0 541.695 4.772 50 0 KJAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C3CCCCC3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097963581 553892027 /nfs/dbraw/zinc/89/20/27/553892027.db2.gz GVOSPPVRVMWGLU-UHFFFAOYSA-N 1 0 547.743 4.900 50 0 KJAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097963582 553892094 /nfs/dbraw/zinc/89/20/94/553892094.db2.gz NFQAEJZPHGZELT-CALCHBBNSA-N 1 0 547.743 4.613 50 0 KJAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097963583 553892125 /nfs/dbraw/zinc/89/21/25/553892125.db2.gz NFQAEJZPHGZELT-IRXDYDNUSA-N 1 0 547.743 4.613 50 0 KJAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097963584 553892117 /nfs/dbraw/zinc/89/21/17/553892117.db2.gz NFQAEJZPHGZELT-IAGOWNOFSA-N 1 0 547.743 4.613 50 0 KJAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963597 553892078 /nfs/dbraw/zinc/89/20/78/553892078.db2.gz SUEZXKCHWVWCRA-KRWDZBQOSA-N 1 0 547.743 4.900 50 0 KJAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963598 553892154 /nfs/dbraw/zinc/89/21/54/553892154.db2.gz SUEZXKCHWVWCRA-QGZVFWFLSA-N 1 0 547.743 4.900 50 0 KJAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963599 553892106 /nfs/dbraw/zinc/89/21/06/553892106.db2.gz SFVOHKDJSDMREG-UHFFFAOYSA-N 1 0 547.743 4.757 50 0 KJAARO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097963608 553892552 /nfs/dbraw/zinc/89/25/52/553892552.db2.gz WHTWIVGLDBVSOW-UHFFFAOYSA-N 1 0 547.743 4.901 50 0 KJAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(c2ccccn2)CC1 ZINC000097994479 554032023 /nfs/dbraw/zinc/03/20/23/554032023.db2.gz QPYKJYAPHZSNCB-IBGZPJMESA-N 1 0 544.291 4.898 50 0 KJAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(c2ccccn2)CC1 ZINC000097994480 554032035 /nfs/dbraw/zinc/03/20/35/554032035.db2.gz QPYKJYAPHZSNCB-LJQANCHMSA-N 1 0 544.291 4.898 50 0 KJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000097995645 554036478 /nfs/dbraw/zinc/03/64/78/554036478.db2.gz GATHXPVFDOFDCN-UHFFFAOYSA-N 1 0 538.442 4.575 50 0 KJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2OC)c1 ZINC000097995648 554036385 /nfs/dbraw/zinc/03/63/85/554036385.db2.gz ANGQZZSEULWKQS-UHFFFAOYSA-N 1 0 538.442 4.819 50 0 KJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000097995668 554036705 /nfs/dbraw/zinc/03/67/05/554036705.db2.gz GPNHJDWWAFBAPX-UHFFFAOYSA-N 1 0 552.469 4.966 50 0 KJAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)C[NH+]2CCN(CCO)CC2)c2ccccc12 ZINC000098000380 554050427 /nfs/dbraw/zinc/05/04/27/554050427.db2.gz DYWOHBWEOVFXIR-MUUNZHRXSA-N 1 0 569.746 4.998 50 0 KJAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)C[NH+]2CCN(CCO)CC2)c2ccccc12 ZINC000098000381 554050531 /nfs/dbraw/zinc/05/05/31/554050531.db2.gz DYWOHBWEOVFXIR-NDEPHWFRSA-N 1 0 569.746 4.998 50 0 KJAARO FC(F)(Cl)Oc1ccc(Nc2nc(N3CCOCC3)nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000098005054 554056449 /nfs/dbraw/zinc/05/64/49/554056449.db2.gz SNTOIHWRJZLFIS-UHFFFAOYSA-N 1 0 576.092 4.711 50 0 KJAARO OCCCNc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000098005057 554056628 /nfs/dbraw/zinc/05/66/28/554056628.db2.gz YFUYMLLGLJOELK-UHFFFAOYSA-N 1 0 564.081 4.668 50 0 KJAARO CN1CCN(c2nc(Nc3ccc(OC(F)(F)Cl)cc3)nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n2)CC1 ZINC000098005058 554056630 /nfs/dbraw/zinc/05/66/30/554056630.db2.gz CQWBCSIIJNFJJZ-UHFFFAOYSA-N 1 0 589.135 4.626 50 0 KJAARO CCCCCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000098005915 554059453 /nfs/dbraw/zinc/05/94/53/554059453.db2.gz TZXRKTBTVYBOMB-GDLZYMKVSA-N 1 0 623.820 4.573 50 0 KJAARO CCCCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000098005916 554059516 /nfs/dbraw/zinc/05/95/16/554059516.db2.gz TZXRKTBTVYBOMB-LJAQVGFWSA-N 1 0 623.820 4.573 50 0 KJAARO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098006298 554061137 /nfs/dbraw/zinc/06/11/37/554061137.db2.gz NSYPWJCCSUXNEZ-JYNFALFTSA-N 1 0 557.617 4.999 50 0 KJAARO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098006299 554061005 /nfs/dbraw/zinc/06/10/05/554061005.db2.gz NSYPWJCCSUXNEZ-UKFQETCTSA-N 1 0 557.617 4.999 50 0 KJAARO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098006300 554061048 /nfs/dbraw/zinc/06/10/48/554061048.db2.gz NSYPWJCCSUXNEZ-POWWOLADSA-N 1 0 557.617 4.999 50 0 KJAARO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098006301 554061158 /nfs/dbraw/zinc/06/11/58/554061158.db2.gz NSYPWJCCSUXNEZ-BDBUQDONSA-N 1 0 557.617 4.999 50 0 KJAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 ZINC000098007365 554063863 /nfs/dbraw/zinc/06/38/63/554063863.db2.gz SBGUJUZVKRHORC-CFRBSIFHSA-N 1 0 550.442 4.932 50 0 KJAARO COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098009079 554069302 /nfs/dbraw/zinc/06/93/02/554069302.db2.gz TVMZRSGJEGXXSE-QHCPKHFHSA-N 1 0 566.651 4.771 50 0 KJAARO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098009080 554069378 /nfs/dbraw/zinc/06/93/78/554069378.db2.gz TVMZRSGJEGXXSE-HSZRJFAPSA-N 1 0 566.651 4.771 50 0 KJAARO COc1ccc([C@H]([NH3+])CC(=O)N2CCN(c3nc4ccc(Br)cc4c(-c4ccccc4)n3)CC2)cc1OC ZINC000098009750 554070726 /nfs/dbraw/zinc/07/07/26/554070726.db2.gz BTLMFGDNUIVBJZ-HSZRJFAPSA-N 1 0 576.495 4.815 50 0 KJAARO COc1ccc([C@@H]([NH3+])CC(=O)N2CCN(c3nc4ccc(Br)cc4c(-c4ccccc4)n3)CC2)cc1OC ZINC000098009751 554070802 /nfs/dbraw/zinc/07/08/02/554070802.db2.gz BTLMFGDNUIVBJZ-QHCPKHFHSA-N 1 0 576.495 4.815 50 0 KJAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccs2)c1C ZINC000098010914 554075460 /nfs/dbraw/zinc/07/54/60/554075460.db2.gz SCCNVEPCXSZNEQ-VWLOTQADSA-N 1 0 539.771 4.695 50 0 KJAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccs2)c1C ZINC000098010915 554075387 /nfs/dbraw/zinc/07/53/87/554075387.db2.gz SCCNVEPCXSZNEQ-RUZDIDTESA-N 1 0 539.771 4.695 50 0 KJAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc(F)cc2F)c1 ZINC000098010984 554076332 /nfs/dbraw/zinc/07/63/32/554076332.db2.gz PWMBNHFBAKZYIU-SANMLTNESA-N 1 0 555.695 4.603 50 0 KJAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc(F)cc2F)c1 ZINC000098010985 554076367 /nfs/dbraw/zinc/07/63/67/554076367.db2.gz PWMBNHFBAKZYIU-AREMUKBSSA-N 1 0 555.695 4.603 50 0 KJAARO COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000098011022 554076636 /nfs/dbraw/zinc/07/66/36/554076636.db2.gz KFAXSNAZQXCPMG-YTTGMZPUSA-N 1 0 599.757 4.712 50 0 KJAARO COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000098011023 554076705 /nfs/dbraw/zinc/07/67/05/554076705.db2.gz KFAXSNAZQXCPMG-JGCGQSQUSA-N 1 0 599.757 4.712 50 0 KJAARO COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc(F)cc2)cc1 ZINC000098011106 554077559 /nfs/dbraw/zinc/07/75/59/554077559.db2.gz CDPNJHTVCFMGBY-PMERELPUSA-N 1 0 573.694 4.534 50 0 KJAARO COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc(F)cc2)cc1 ZINC000098011107 554077615 /nfs/dbraw/zinc/07/76/15/554077615.db2.gz CDPNJHTVCFMGBY-SSEXGKCCSA-N 1 0 573.694 4.534 50 0 KJAARO COc1ccc([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(-c2ccccc2)nn3-c2cccc(C)c2)cc1OC ZINC000098011350 554079936 /nfs/dbraw/zinc/07/99/36/554079936.db2.gz DBECODLTTUVPAU-YTTGMZPUSA-N 1 0 599.757 4.712 50 0 KJAARO COc1ccc([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(-c2ccccc2)nn3-c2cccc(C)c2)cc1OC ZINC000098011351 554079950 /nfs/dbraw/zinc/07/99/50/554079950.db2.gz DBECODLTTUVPAU-JGCGQSQUSA-N 1 0 599.757 4.712 50 0 KJAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccccc2Cl)cc1 ZINC000098011424 554080585 /nfs/dbraw/zinc/08/05/85/554080585.db2.gz PGCJTNUPNITJDE-AREMUKBSSA-N 1 0 570.159 4.679 50 0 KJAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccccc2Cl)cc1 ZINC000098011425 554080521 /nfs/dbraw/zinc/08/05/21/554080521.db2.gz PGCJTNUPNITJDE-SANMLTNESA-N 1 0 570.159 4.679 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)SCC1=O ZINC000098011512 554081494 /nfs/dbraw/zinc/08/14/94/554081494.db2.gz QLFILSKLIDOMSQ-RUZDIDTESA-N 1 0 558.123 4.809 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2cccc(Cl)c2)SCC1=O ZINC000098011513 554081502 /nfs/dbraw/zinc/08/15/02/554081502.db2.gz QLFILSKLIDOMSQ-VWLOTQADSA-N 1 0 558.123 4.809 50 0 KJAARO COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000098011986 554086513 /nfs/dbraw/zinc/08/65/13/554086513.db2.gz TZBHQZCOHOVHQD-WJOKGBTCSA-N 1 0 569.731 4.703 50 0 KJAARO COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000098011987 554086529 /nfs/dbraw/zinc/08/65/29/554086529.db2.gz TZBHQZCOHOVHQD-HKBQPEDESA-N 1 0 569.731 4.703 50 0 KJAARO COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000098012048 554087148 /nfs/dbraw/zinc/08/71/48/554087148.db2.gz GOMYWMBFVDCQHQ-WJOKGBTCSA-N 1 0 569.731 4.703 50 0 KJAARO COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000098012049 554087070 /nfs/dbraw/zinc/08/70/70/554087070.db2.gz GOMYWMBFVDCQHQ-HKBQPEDESA-N 1 0 569.731 4.703 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@@H](c2cccs2)SCC1=O ZINC000098012210 554088600 /nfs/dbraw/zinc/08/86/00/554088600.db2.gz GSRZRETWUXXVJN-HSZRJFAPSA-N 1 0 546.162 4.732 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@H](c2cccs2)SCC1=O ZINC000098012211 554088537 /nfs/dbraw/zinc/08/85/37/554088537.db2.gz GSRZRETWUXXVJN-QHCPKHFHSA-N 1 0 546.162 4.732 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@@H](c2ccsc2)SCC1=O ZINC000098012230 554088856 /nfs/dbraw/zinc/08/88/56/554088856.db2.gz XJXWMNPOSGCGMP-HSZRJFAPSA-N 1 0 546.162 4.732 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@H](c2ccsc2)SCC1=O ZINC000098012231 554088810 /nfs/dbraw/zinc/08/88/10/554088810.db2.gz XJXWMNPOSGCGMP-QHCPKHFHSA-N 1 0 546.162 4.732 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@@H](c2cccc(F)c2)SCC1=O ZINC000098012252 554089138 /nfs/dbraw/zinc/08/91/38/554089138.db2.gz RLESCSLXNFJAQP-RUZDIDTESA-N 1 0 558.123 4.809 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@H](c2cccc(F)c2)SCC1=O ZINC000098012253 554089187 /nfs/dbraw/zinc/08/91/87/554089187.db2.gz RLESCSLXNFJAQP-VWLOTQADSA-N 1 0 558.123 4.809 50 0 KJAARO COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(C(C)(C)C)nn2-c1ccccc1Cl ZINC000098012358 554090036 /nfs/dbraw/zinc/09/00/36/554090036.db2.gz WMARVGJFCPZDDJ-AREMUKBSSA-N 1 0 570.159 4.679 50 0 KJAARO COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(C(C)(C)C)nn2-c1ccccc1Cl ZINC000098012359 554090030 /nfs/dbraw/zinc/09/00/30/554090030.db2.gz WMARVGJFCPZDDJ-SANMLTNESA-N 1 0 570.159 4.679 50 0 KJAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccc(F)c2)c1C ZINC000098012388 554090292 /nfs/dbraw/zinc/09/02/92/554090292.db2.gz MNXHRSFLGFAHRE-MHZLTWQESA-N 1 0 551.732 4.773 50 0 KJAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccc(F)c2)c1C ZINC000098012389 554090274 /nfs/dbraw/zinc/09/02/74/554090274.db2.gz MNXHRSFLGFAHRE-HHHXNRCGSA-N 1 0 551.732 4.773 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(F)c2)[C@@H](c2ccccc2Cl)SCC1=O ZINC000098012414 554090623 /nfs/dbraw/zinc/09/06/23/554090623.db2.gz HQZKWBABXBHDKI-RUZDIDTESA-N 1 0 558.123 4.809 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(F)c2)[C@H](c2ccccc2Cl)SCC1=O ZINC000098012415 554090609 /nfs/dbraw/zinc/09/06/09/554090609.db2.gz HQZKWBABXBHDKI-VWLOTQADSA-N 1 0 558.123 4.809 50 0 KJAARO CC[NH+]1CCN(c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)NCCc4ccccn4)cc3)n2)CC1 ZINC000098015063 554095548 /nfs/dbraw/zinc/09/55/48/554095548.db2.gz UVLCMBIXBGKARD-UHFFFAOYSA-N 1 0 538.721 4.945 50 0 KJAARO CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(-c4ccccc4)cc(N4CC[NH+](CC)CC4)n3)c2)C1 ZINC000098015094 554095832 /nfs/dbraw/zinc/09/58/32/554095832.db2.gz AVKLTEWSQHWXLS-MHZLTWQESA-N 1 0 573.763 4.993 50 0 KJAARO CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(-c4ccccc4)cc(N4CC[NH+](CC)CC4)n3)c2)C1 ZINC000098015095 554095878 /nfs/dbraw/zinc/09/58/78/554095878.db2.gz AVKLTEWSQHWXLS-HHHXNRCGSA-N 1 0 573.763 4.993 50 0 KJAARO CCOC(=O)C1CCN(C(=O)c2cccc(CSc3nc(-c4ccccc4)cc(N4CC[NH+](C)CC4)n3)c2)CC1 ZINC000098015105 554095799 /nfs/dbraw/zinc/09/57/99/554095799.db2.gz XGLSVFMLABPCEL-UHFFFAOYSA-N 1 0 559.736 4.603 50 0 KJAARO C[NH+](C)CCNC(=O)c1cccc(CSc2nc(-c3ccccc3)cc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000098015106 554095825 /nfs/dbraw/zinc/09/58/25/554095825.db2.gz BLUUQCYXJUMRST-UHFFFAOYSA-N 1 0 610.784 4.778 50 0 KJAARO O=C(c1ccc(CSc2nc(N3CC[NH+](Cc4ccccc4)CC3)cc(C(F)(F)F)n2)o1)N1CCCC1 ZINC000098015116 554095846 /nfs/dbraw/zinc/09/58/46/554095846.db2.gz KZGPLKONLYGDNK-UHFFFAOYSA-N 1 0 531.604 4.939 50 0 KJAARO C[NH+](C)CCNC(=O)c1ccc(CSc2nc(N3CCN(c4ccccc4Cl)CC3)cc(C(F)(F)F)n2)o1 ZINC000098015130 554096199 /nfs/dbraw/zinc/09/61/99/554096199.db2.gz IZMSHBRVJPJZLB-UHFFFAOYSA-N 1 0 569.053 4.652 50 0 KJAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1 ZINC000098015265 554097474 /nfs/dbraw/zinc/09/74/74/554097474.db2.gz DKZRNNOGWRDZMD-UHFFFAOYSA-N 1 0 543.693 4.761 50 0 KJAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCc3cccnc3)cc2)n1 ZINC000098015266 554097527 /nfs/dbraw/zinc/09/75/27/554097527.db2.gz REXPEUMIQCBFTC-UHFFFAOYSA-N 1 0 554.720 4.563 50 0 KJAARO COc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c(=O)c2Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000098015551 554100233 /nfs/dbraw/zinc/10/02/33/554100233.db2.gz OJUNMQWZMPEJEU-UHFFFAOYSA-N 1 0 534.016 4.722 50 0 KJAARO COc1ccc(-n2ncc(Oc3ccc4c(c3)CCC4)c(Nc3cccc(C(=O)NCC[NH+](C)C)c3)c2=O)cc1 ZINC000098015579 554100588 /nfs/dbraw/zinc/10/05/88/554100588.db2.gz OPMXIBWOTQKZAT-UHFFFAOYSA-N 1 0 539.636 4.557 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccccc2C)cc1OC ZINC000098019690 554113888 /nfs/dbraw/zinc/11/38/88/554113888.db2.gz IGYAKVCOGWOQDS-UHFFFAOYSA-N 1 0 547.696 4.723 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccc(F)cc2)cc1OC ZINC000098019699 554114056 /nfs/dbraw/zinc/11/40/56/554114056.db2.gz HZRBJMSEFIQOKH-UHFFFAOYSA-N 1 0 565.686 4.944 50 0 KJAARO COc1ccc(C(=O)N(CC[NH+]2CCCCC2)CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccc(C)o2)cc1 ZINC000098019700 554114135 /nfs/dbraw/zinc/11/41/35/554114135.db2.gz MODAEKBUPRPKEF-UHFFFAOYSA-N 1 0 577.722 4.813 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccccc2F)cc1OC ZINC000098019701 554114152 /nfs/dbraw/zinc/11/41/52/554114152.db2.gz BOWZEWXFILOQGZ-UHFFFAOYSA-N 1 0 565.686 4.944 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)CCc2ccccc2)cc1OC ZINC000098019703 554114049 /nfs/dbraw/zinc/11/40/49/554114049.db2.gz AGRCFCZEQXRUBQ-UHFFFAOYSA-N 1 0 561.723 4.734 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccc(C)cc2)cc1OC ZINC000098019704 554114166 /nfs/dbraw/zinc/11/41/66/554114166.db2.gz FWTUXNZWTCSVKQ-UHFFFAOYSA-N 1 0 547.696 4.723 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2cccs2)cc1OC ZINC000098019716 554114095 /nfs/dbraw/zinc/11/40/95/554114095.db2.gz QXIGKGHCMTYZCD-UHFFFAOYSA-N 1 0 553.725 4.866 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)Cc2ccccc2)cc1OC ZINC000098019718 554114087 /nfs/dbraw/zinc/11/40/87/554114087.db2.gz DJZDSPVPEGSXPM-UHFFFAOYSA-N 1 0 561.723 4.734 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)Nc2cccc(F)c2)cc1OC ZINC000098019726 554114186 /nfs/dbraw/zinc/11/41/86/554114186.db2.gz BIQKOZXZEGJYQM-UHFFFAOYSA-N 1 0 566.674 4.946 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccc(F)cc2)cc1OC ZINC000098019828 554114629 /nfs/dbraw/zinc/11/46/29/554114629.db2.gz DUJUWFSIMLMPBU-UHFFFAOYSA-N 1 0 551.659 4.554 50 0 KJAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccccc2F)cc1OC ZINC000098019830 554114721 /nfs/dbraw/zinc/11/47/21/554114721.db2.gz GTEKSDZAIQXRJQ-UHFFFAOYSA-N 1 0 551.659 4.554 50 0 KJAARO COCCN(CC(=O)Nc1nc(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000098019878 554115049 /nfs/dbraw/zinc/11/50/49/554115049.db2.gz YMZMCGHMMIBLEU-UHFFFAOYSA-N 1 0 618.587 4.501 50 0 KJAARO CCOC(=O)C1=C(C)N(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000098022843 554119517 /nfs/dbraw/zinc/11/95/17/554119517.db2.gz ZHYYLFHJKMOQOJ-PWUYWRBVSA-N 1 0 561.723 4.799 50 0 KJAARO CCOC(=O)C1=C(C)N(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000098022844 554119503 /nfs/dbraw/zinc/11/95/03/554119503.db2.gz ZHYYLFHJKMOQOJ-OUTSHDOLSA-N 1 0 561.723 4.799 50 0 KJAARO COc1cc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)ccc1OCc1ccccc1 ZINC000098045187 554131262 /nfs/dbraw/zinc/13/12/62/554131262.db2.gz CXGIEIXCXSILFH-UHFFFAOYSA-N 1 0 557.691 4.559 50 0 KJAARO O[C@H](C[NH2+]C1CCCC1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098045744 554133574 /nfs/dbraw/zinc/13/35/74/554133574.db2.gz ZCZAESBCBAZHHE-MRXNPFEDSA-N 1 0 560.217 4.897 50 0 KJAARO O[C@@H](C[NH2+]C1CCCC1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098045745 554133500 /nfs/dbraw/zinc/13/35/00/554133500.db2.gz ZCZAESBCBAZHHE-INIZCTEOSA-N 1 0 560.217 4.897 50 0 KJAARO CCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000098046739 554143090 /nfs/dbraw/zinc/14/30/90/554143090.db2.gz WPSTYWZFYVHLDG-HSZRJFAPSA-N 1 0 529.431 4.850 50 0 KJAARO CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000098046740 554143159 /nfs/dbraw/zinc/14/31/59/554143159.db2.gz WPSTYWZFYVHLDG-QHCPKHFHSA-N 1 0 529.431 4.850 50 0 KJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000098047174 554147328 /nfs/dbraw/zinc/14/73/28/554147328.db2.gz XJQVMFYXYJSLEO-HSZRJFAPSA-N 1 0 529.431 4.850 50 0 KJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000098047175 554147387 /nfs/dbraw/zinc/14/73/87/554147387.db2.gz XJQVMFYXYJSLEO-QHCPKHFHSA-N 1 0 529.431 4.850 50 0 KJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000098047176 554147345 /nfs/dbraw/zinc/14/73/45/554147345.db2.gz QURIJCGPQZRQHR-JOCHJYFZSA-N 1 0 527.415 4.619 50 0 KJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000098047177 554147381 /nfs/dbraw/zinc/14/73/81/554147381.db2.gz QURIJCGPQZRQHR-QFIPXVFZSA-N 1 0 527.415 4.619 50 0 KJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000098047182 554147742 /nfs/dbraw/zinc/14/77/42/554147742.db2.gz GVRNVGFYZTXSLV-HSZRJFAPSA-N 1 0 559.457 4.858 50 0 KJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000098047183 554147636 /nfs/dbraw/zinc/14/76/36/554147636.db2.gz GVRNVGFYZTXSLV-QHCPKHFHSA-N 1 0 559.457 4.858 50 0 KJAARO CC[NH+](CC)C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048097 554159517 /nfs/dbraw/zinc/15/95/17/554159517.db2.gz HYEWHNLDOMLKKH-HNNXBMFYSA-N 1 0 548.206 4.706 50 0 KJAARO CC[NH+](CC)C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048098 554159510 /nfs/dbraw/zinc/15/95/10/554159510.db2.gz HYEWHNLDOMLKKH-OAHLLOKOSA-N 1 0 548.206 4.706 50 0 KJAARO CC[C@@H](C)[NH2+]C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048121 554159831 /nfs/dbraw/zinc/15/98/31/554159831.db2.gz GIFKPQFWZFWIBD-DOMZBBRYSA-N 1 0 548.206 4.753 50 0 KJAARO CC[C@H](C)[NH2+]C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048122 554159927 /nfs/dbraw/zinc/15/99/27/554159927.db2.gz GIFKPQFWZFWIBD-WFASDCNBSA-N 1 0 548.206 4.753 50 0 KJAARO CC[C@@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048123 554159923 /nfs/dbraw/zinc/15/99/23/554159923.db2.gz GIFKPQFWZFWIBD-IUODEOHRSA-N 1 0 548.206 4.753 50 0 KJAARO CC[C@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048124 554159895 /nfs/dbraw/zinc/15/98/95/554159895.db2.gz GIFKPQFWZFWIBD-SWLSCSKDSA-N 1 0 548.206 4.753 50 0 KJAARO O[C@@H](C[NH2+]Cc1ccco1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048131 554159874 /nfs/dbraw/zinc/15/98/74/554159874.db2.gz AXYFIJOMOYTSGH-HNNXBMFYSA-N 1 0 572.184 4.747 50 0 KJAARO O[C@H](C[NH2+]Cc1ccco1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048132 554159818 /nfs/dbraw/zinc/15/98/18/554159818.db2.gz AXYFIJOMOYTSGH-OAHLLOKOSA-N 1 0 572.184 4.747 50 0 KJAARO O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCN(c2ccccn2)CC1 ZINC000098048139 554159768 /nfs/dbraw/zinc/15/97/68/554159768.db2.gz DRMVPAOZZBFVBJ-IBGZPJMESA-N 1 0 638.291 4.582 50 0 KJAARO O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCN(c2ccccn2)CC1 ZINC000098048140 554159888 /nfs/dbraw/zinc/15/98/88/554159888.db2.gz DRMVPAOZZBFVBJ-LJQANCHMSA-N 1 0 638.291 4.582 50 0 KJAARO CC(=O)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)ncn1 ZINC000098207757 554176850 /nfs/dbraw/zinc/17/68/50/554176850.db2.gz VQLNKQZLPGLOSI-UHFFFAOYSA-N 1 0 569.588 4.588 50 0 in-vitro KJAARO COc1ccccc1NC(=O)N(c1ccc2c(c1)CCN2S(C)(=O)=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000100001465 554177472 /nfs/dbraw/zinc/17/74/72/554177472.db2.gz VWVNHBIXMIVGPN-UHFFFAOYSA-N 1 0 534.682 4.720 50 0 KJAARO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(I)c1 ZINC000100055340 554195910 /nfs/dbraw/zinc/19/59/10/554195910.db2.gz AOOJDOJRRDHCAW-UHFFFAOYSA-N 1 0 556.473 4.740 50 0 KJAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000100090935 554211128 /nfs/dbraw/zinc/21/11/28/554211128.db2.gz ZCOYZJBHUDMCSE-DEOSSOPVSA-N 1 0 525.983 4.894 50 0 KJAARO Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(CSC(=S)N2CCN(Cc3ccccc3)CC2)cc(=O)[nH]1 ZINC000100123397 554224746 /nfs/dbraw/zinc/22/47/46/554224746.db2.gz OLRFVHXARQQNGM-UHFFFAOYSA-N 1 0 542.134 4.526 50 0 KJAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000100150934 554231517 /nfs/dbraw/zinc/23/15/17/554231517.db2.gz DZHLJYMOQCOYLT-AIKBEYBBSA-N 1 0 532.065 4.613 50 0 KJAARO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000100164775 554236254 /nfs/dbraw/zinc/23/62/54/554236254.db2.gz SIZOWOMSYOWCDN-DIRMUGNKSA-N 1 0 505.549 4.519 50 0 KJAARO O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000100164855 554236232 /nfs/dbraw/zinc/23/62/32/554236232.db2.gz QNNLWPJUJVOMJH-FJRCWILLSA-N 1 0 545.614 4.584 50 0 KJAARO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000100182346 554241993 /nfs/dbraw/zinc/24/19/93/554241993.db2.gz BSLNTCMTDKFTLK-AFFVTSBVSA-N 1 0 506.389 4.533 50 0 KJAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000100182354 554242056 /nfs/dbraw/zinc/24/20/56/554242056.db2.gz SBGUJUZVKRHORC-AIKBEYBBSA-N 1 0 550.442 4.932 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)cc3)C2=O)cc1 ZINC000100191312 1066197200 /nfs/dbraw/zinc/19/72/00/1066197200.db2.gz RZQPOQBXCOFRGD-QNGOZBTKSA-N 1 0 560.470 4.623 50 0 KJAARO O=C(CNc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000100302495 1066197702 /nfs/dbraw/zinc/19/77/02/1066197702.db2.gz WEKXLLWZEMDFFT-UHFFFAOYSA-N 1 0 571.729 4.866 50 0 KJAARO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)c(Br)c1 ZINC000100821240 554480420 /nfs/dbraw/zinc/48/04/20/554480420.db2.gz HJDHUGAQFNZGOY-VWLOTQADSA-N 1 0 518.455 4.797 50 0 KJAARO Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)c2=O)cc1 ZINC000100852621 554492748 /nfs/dbraw/zinc/49/27/48/554492748.db2.gz BNSAKIYAUGPJDK-UHFFFAOYSA-N 1 0 615.734 4.553 50 0 KJAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)nc21 ZINC000100931725 554527503 /nfs/dbraw/zinc/52/75/03/554527503.db2.gz MHOCYZUFKYFSNU-UHFFFAOYSA-N 1 0 550.706 4.655 50 0 KJAARO CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc21 ZINC000100931782 554527484 /nfs/dbraw/zinc/52/74/84/554527484.db2.gz ZFRWZTFDCINRFN-UHFFFAOYSA-N 1 0 552.722 4.724 50 0 KJAARO COc1ccc(N2C(=O)c3ccccc3/C(=C/N[C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2=O)cc1OC ZINC000101007808 1066470925 /nfs/dbraw/zinc/47/09/25/1066470925.db2.gz IDWFYIDJZVXGFD-PGLPJHNESA-N 1 0 539.632 4.810 50 0 KJAARO COc1ccc(N2C(=O)c3ccccc3/C(=C/N[C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2=O)cc1OC ZINC000101007810 1066470766 /nfs/dbraw/zinc/47/07/66/1066470766.db2.gz IDWFYIDJZVXGFD-OBWJIVDRSA-N 1 0 539.632 4.810 50 0 KJAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccc(F)c2)c(C)c1 ZINC000101047735 554568493 /nfs/dbraw/zinc/56/84/93/554568493.db2.gz KTCFKWNYLPODIO-MHZLTWQESA-N 1 0 551.732 4.773 50 0 KJAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccc(F)c2)c(C)c1 ZINC000101047742 554568483 /nfs/dbraw/zinc/56/84/83/554568483.db2.gz KTCFKWNYLPODIO-HHHXNRCGSA-N 1 0 551.732 4.773 50 0 KJAARO Cc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000101047924 554568460 /nfs/dbraw/zinc/56/84/60/554568460.db2.gz BXWPTUVVDWRRNJ-SSEXGKCCSA-N 1 0 557.695 4.834 50 0 KJAARO Cc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000101047929 554568488 /nfs/dbraw/zinc/56/84/88/554568488.db2.gz BXWPTUVVDWRRNJ-PMERELPUSA-N 1 0 557.695 4.834 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2Cl)[C@@H](c2cccc(F)c2)SCC1=O ZINC000101047961 554568401 /nfs/dbraw/zinc/56/84/01/554568401.db2.gz CCUSDMBTUKSOMN-RUZDIDTESA-N 1 0 558.123 4.809 50 0 KJAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2Cl)[C@H](c2cccc(F)c2)SCC1=O ZINC000101047966 554568423 /nfs/dbraw/zinc/56/84/23/554568423.db2.gz CCUSDMBTUKSOMN-VWLOTQADSA-N 1 0 558.123 4.809 50 0 KJAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc(F)cc2F)cc1 ZINC000101052293 554568948 /nfs/dbraw/zinc/56/89/48/554568948.db2.gz MZLJAJILLGXENM-SANMLTNESA-N 1 0 555.695 4.603 50 0 KJAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc(F)cc2F)cc1 ZINC000101052298 554568954 /nfs/dbraw/zinc/56/89/54/554568954.db2.gz MZLJAJILLGXENM-AREMUKBSSA-N 1 0 555.695 4.603 50 0 KJAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccs2)c(C)c1 ZINC000101054175 554568889 /nfs/dbraw/zinc/56/88/89/554568889.db2.gz NPUROHPBKGIZNH-VWLOTQADSA-N 1 0 539.771 4.695 50 0 KJAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccs2)c(C)c1 ZINC000101054180 554569269 /nfs/dbraw/zinc/56/92/69/554569269.db2.gz NPUROHPBKGIZNH-RUZDIDTESA-N 1 0 539.771 4.695 50 0 KJAARO Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccc(F)c2)c1 ZINC000101055877 554569477 /nfs/dbraw/zinc/56/94/77/554569477.db2.gz JQFAWNHTMNTZJQ-PMERELPUSA-N 1 0 557.695 4.834 50 0 KJAARO Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccc(F)c2)c1 ZINC000101055879 554569497 /nfs/dbraw/zinc/56/94/97/554569497.db2.gz JQFAWNHTMNTZJQ-SSEXGKCCSA-N 1 0 557.695 4.834 50 0 KJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)CC1 ZINC000101081184 554578969 /nfs/dbraw/zinc/57/89/69/554578969.db2.gz QDLPXCFJEWPCRV-UHFFFAOYSA-N 1 0 594.959 4.920 50 0 KJAARO O=C(C1CC[NH+](C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000101081495 554578963 /nfs/dbraw/zinc/57/89/63/554578963.db2.gz TXZOQWCVUGCPSQ-UHFFFAOYSA-N 1 0 588.612 4.796 50 0 KJAARO CC(C)Cn1c(N)c([C@@H](c2ccc(-c3ccc(Cl)cc3)o2)[NH+]2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000101086925 554580830 /nfs/dbraw/zinc/58/08/30/554580830.db2.gz KREHGENCMPLMBO-AREMUKBSSA-N 1 0 534.060 4.600 50 0 KJAARO CC(C)Cn1c(N)c([C@H](c2ccc(-c3ccc(Cl)cc3)o2)[NH+]2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000101086926 554580912 /nfs/dbraw/zinc/58/09/12/554580912.db2.gz KREHGENCMPLMBO-SANMLTNESA-N 1 0 534.060 4.600 50 0 KJAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000101091126 554582153 /nfs/dbraw/zinc/58/21/53/554582153.db2.gz NFKOYNWAIWHZQI-HKBQPEDESA-N 1 0 606.565 4.587 50 0 KJAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000101091127 554582138 /nfs/dbraw/zinc/58/21/38/554582138.db2.gz NFKOYNWAIWHZQI-WJOKGBTCSA-N 1 0 606.565 4.587 50 0 KJAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1)c1cccc(Br)c1 ZINC000101099029 554586041 /nfs/dbraw/zinc/58/60/41/554586041.db2.gz DEXUPIXFHNFBIF-UHFFFAOYSA-N 1 0 539.518 4.548 50 0 KJAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101105354 554639971 /nfs/dbraw/zinc/63/99/71/554639971.db2.gz HDSJDKPRQJNMIT-NDBXHCKUSA-N 1 0 547.489 4.588 50 0 KJAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101105358 554639925 /nfs/dbraw/zinc/63/99/25/554639925.db2.gz HDSJDKPRQJNMIT-LIONHTAISA-N 1 0 547.489 4.588 50 0 KJAARO COc1ccc(-n2nc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3c2=O)cc1Cl ZINC000101189740 554670318 /nfs/dbraw/zinc/67/03/18/554670318.db2.gz SHZGSOGGUQTMCT-UHFFFAOYSA-N 1 0 566.489 4.643 50 0 KJAARO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc12 ZINC000101192481 554671049 /nfs/dbraw/zinc/67/10/49/554671049.db2.gz SLRBDZUNORKXEN-UHFFFAOYSA-N 1 0 560.718 4.720 50 0 KJAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101202933 554673457 /nfs/dbraw/zinc/67/34/57/554673457.db2.gz VLKSAKVGBZCEKP-URAJONJJSA-N 1 0 591.580 4.653 50 0 biogenic KJAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101202937 554673432 /nfs/dbraw/zinc/67/34/32/554673432.db2.gz VLKSAKVGBZCEKP-SJNNHYBDSA-N 1 0 591.580 4.653 50 0 biogenic KJAARO CCCC[N@H+](C)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205636 554675657 /nfs/dbraw/zinc/67/56/57/554675657.db2.gz YJMCQCAQVHBOMO-SRILOVTHSA-N 1 0 600.760 4.749 50 0 biogenic KJAARO CCCC[N@H+](C)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101205640 554675643 /nfs/dbraw/zinc/67/56/43/554675643.db2.gz YJMCQCAQVHBOMO-ZLMQMPPYSA-N 1 0 600.760 4.749 50 0 biogenic KJAARO C[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205971 554675774 /nfs/dbraw/zinc/67/57/74/554675774.db2.gz KFDGOINRGGKHRC-AXGKCNHXSA-N 1 0 635.603 4.509 50 0 biogenic KJAARO C[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205973 554675755 /nfs/dbraw/zinc/67/57/55/554675755.db2.gz KFDGOINRGGKHRC-BIRRFFDLSA-N 1 0 635.603 4.509 50 0 biogenic KJAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101207973 554677384 /nfs/dbraw/zinc/67/73/84/554677384.db2.gz CXLZZGWVYHPGLK-SRILOVTHSA-N 1 0 616.828 4.859 50 0 biogenic KJAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101207976 554677406 /nfs/dbraw/zinc/67/74/06/554677406.db2.gz CXLZZGWVYHPGLK-ZLMQMPPYSA-N 1 0 616.828 4.859 50 0 biogenic KJAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101208465 554677735 /nfs/dbraw/zinc/67/77/35/554677735.db2.gz CWUPUCGPBIVOTO-QRHBHCOUSA-N 1 0 578.798 4.860 50 0 biogenic KJAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101208468 554677727 /nfs/dbraw/zinc/67/77/27/554677727.db2.gz CWUPUCGPBIVOTO-LNVHHCMDSA-N 1 0 578.798 4.860 50 0 biogenic KJAARO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101208501 554677720 /nfs/dbraw/zinc/67/77/20/554677720.db2.gz OZEFJHJIZICZPC-MKYXBXGFSA-N 1 0 576.782 4.613 50 0 biogenic KJAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101216095 554682699 /nfs/dbraw/zinc/68/26/99/554682699.db2.gz FTSQOYPQGKECSA-XMMPIXPASA-N 1 0 559.132 4.810 50 0 KJAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101216099 554682690 /nfs/dbraw/zinc/68/26/90/554682690.db2.gz FTSQOYPQGKECSA-DEOSSOPVSA-N 1 0 559.132 4.810 50 0 KJAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccco3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000101216165 554682825 /nfs/dbraw/zinc/68/28/25/554682825.db2.gz KHCBJMZQUWFFIL-GDLZYMKVSA-N 1 0 607.752 4.746 50 0 KJAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccco3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000101216167 554682850 /nfs/dbraw/zinc/68/28/50/554682850.db2.gz KHCBJMZQUWFFIL-LJAQVGFWSA-N 1 0 607.752 4.746 50 0 KJAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216181 554682909 /nfs/dbraw/zinc/68/29/09/554682909.db2.gz GRTDYHLCRFHOFH-HHHXNRCGSA-N 1 0 583.824 4.556 50 0 KJAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216183 554682917 /nfs/dbraw/zinc/68/29/17/554682917.db2.gz GRTDYHLCRFHOFH-MHZLTWQESA-N 1 0 583.824 4.556 50 0 KJAARO COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101216613 554684311 /nfs/dbraw/zinc/68/43/11/554684311.db2.gz VCKAKQGZASCJPI-GDLZYMKVSA-N 1 0 634.202 4.665 50 0 KJAARO COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101216618 554684343 /nfs/dbraw/zinc/68/43/43/554684343.db2.gz VCKAKQGZASCJPI-LJAQVGFWSA-N 1 0 634.202 4.665 50 0 KJAARO C[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101216717 554684589 /nfs/dbraw/zinc/68/45/89/554684589.db2.gz CLACWCHSGCTKGF-JOCHJYFZSA-N 1 0 568.958 4.615 50 0 KJAARO C[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101216719 554684511 /nfs/dbraw/zinc/68/45/11/554684511.db2.gz CLACWCHSGCTKGF-QFIPXVFZSA-N 1 0 568.958 4.615 50 0 KJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)Cn4nc(C(F)(F)F)c(Br)c4C)ccc3n2)CC1 ZINC000101222367 554687630 /nfs/dbraw/zinc/68/76/30/554687630.db2.gz DHZXFRGFMGYVHT-UHFFFAOYSA-N 1 0 539.400 4.610 50 0 KJAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)C1 ZINC000101233204 554689578 /nfs/dbraw/zinc/68/95/78/554689578.db2.gz FXNCDJMGUBLBPL-VOIUYBSRSA-N 1 0 535.870 4.538 50 0 KJAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)C1 ZINC000101233208 554689669 /nfs/dbraw/zinc/68/96/69/554689669.db2.gz FXNCDJMGUBLBPL-UPCLLVRISA-N 1 0 535.870 4.538 50 0 KJAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235220 554690391 /nfs/dbraw/zinc/69/03/91/554690391.db2.gz HNORGKHUWHFWSW-ROJLCIKYSA-N 1 0 637.177 4.613 50 0 KJAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235223 554690388 /nfs/dbraw/zinc/69/03/88/554690388.db2.gz HNORGKHUWHFWSW-ZWXJPIIXSA-N 1 0 637.177 4.613 50 0 KJAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235230 554690415 /nfs/dbraw/zinc/69/04/15/554690415.db2.gz HNORGKHUWHFWSW-AJQTZOPKSA-N 1 0 637.177 4.613 50 0 KJAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235235 554690443 /nfs/dbraw/zinc/69/04/43/554690443.db2.gz HNORGKHUWHFWSW-ACHIHNKUSA-N 1 0 637.177 4.613 50 0 KJAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000101236213 554690612 /nfs/dbraw/zinc/69/06/12/554690612.db2.gz NKCJNPCFDREIMY-FIRIVFDPSA-N 1 0 607.151 4.605 50 0 KJAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000101236215 554690652 /nfs/dbraw/zinc/69/06/52/554690652.db2.gz NKCJNPCFDREIMY-JSOSNVBQSA-N 1 0 607.151 4.605 50 0 KJAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000101236218 554690750 /nfs/dbraw/zinc/69/07/50/554690750.db2.gz NKCJNPCFDREIMY-IOWSJCHKSA-N 1 0 607.151 4.605 50 0 KJAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000101236220 554690937 /nfs/dbraw/zinc/69/09/37/554690937.db2.gz NKCJNPCFDREIMY-CONSDPRKSA-N 1 0 607.151 4.605 50 0 KJAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000101254097 554694500 /nfs/dbraw/zinc/69/45/00/554694500.db2.gz YESVGKIRKMGWFE-DEOSSOPVSA-N 1 0 557.116 4.580 50 0 KJAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000101254099 554694505 /nfs/dbraw/zinc/69/45/05/554694505.db2.gz YESVGKIRKMGWFE-XMMPIXPASA-N 1 0 557.116 4.580 50 0 KJAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254143 554694663 /nfs/dbraw/zinc/69/46/63/554694663.db2.gz VIAQWWBGPDFQCG-AREMUKBSSA-N 1 0 538.714 4.547 50 0 KJAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254147 554694584 /nfs/dbraw/zinc/69/45/84/554694584.db2.gz VIAQWWBGPDFQCG-SANMLTNESA-N 1 0 538.714 4.547 50 0 KJAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254207 554694684 /nfs/dbraw/zinc/69/46/84/554694684.db2.gz WWRAGHSYOUSQOR-XMMPIXPASA-N 1 0 559.132 4.810 50 0 KJAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254210 554694640 /nfs/dbraw/zinc/69/46/40/554694640.db2.gz WWRAGHSYOUSQOR-DEOSSOPVSA-N 1 0 559.132 4.810 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254214 554694612 /nfs/dbraw/zinc/69/46/12/554694612.db2.gz KUTDZYSKTDRWSD-XMMPIXPASA-N 1 0 587.142 4.588 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254219 554694590 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CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000101318421 554725403 /nfs/dbraw/zinc/72/54/03/554725403.db2.gz UKPXYIAUODYUAK-UHFFFAOYSA-N 1 0 557.736 4.714 50 0 KJAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000101326461 554729303 /nfs/dbraw/zinc/72/93/03/554729303.db2.gz SMTMSRNLNMFOFB-DFIMXKNXSA-N 1 0 549.389 4.782 50 0 KJAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000101326463 554729150 /nfs/dbraw/zinc/72/91/50/554729150.db2.gz SMTMSRNLNMFOFB-IMBSWCNGSA-N 1 0 549.389 4.782 50 0 KJAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000101326467 554729187 /nfs/dbraw/zinc/72/91/87/554729187.db2.gz SMTMSRNLNMFOFB-QUIZSENMSA-N 1 0 549.389 4.782 50 0 KJAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000101326470 554729141 /nfs/dbraw/zinc/72/91/41/554729141.db2.gz SMTMSRNLNMFOFB-NLJXWPIHSA-N 1 0 549.389 4.782 50 0 KJAARO O=C(C1CC[NH+](C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000101329083 554730293 /nfs/dbraw/zinc/73/02/93/554730293.db2.gz XWOSSMHVLNCREU-UHFFFAOYSA-N 1 0 544.161 4.686 50 0 KJAARO Cc1ccccc1Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O ZINC000101329995 554730702 /nfs/dbraw/zinc/73/07/02/554730702.db2.gz XZNMOMZIWWSYFR-UHFFFAOYSA-N 1 0 572.709 4.963 50 0 KJAARO O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O)c1ccc(F)cc1 ZINC000101330005 554730662 /nfs/dbraw/zinc/73/06/62/554730662.db2.gz BSSIXDBBUHTHBP-UHFFFAOYSA-N 1 0 604.682 4.628 50 0 KJAARO O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101330349 554731237 /nfs/dbraw/zinc/73/12/37/554731237.db2.gz WEIKUAKDKLLMMR-UHFFFAOYSA-N 1 0 559.110 4.816 50 0 KJAARO Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)c1 ZINC000101330352 554731270 /nfs/dbraw/zinc/73/12/70/554731270.db2.gz NOWAUXYDKXTYQL-UHFFFAOYSA-N 1 0 552.719 4.779 50 0 KJAARO Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)c2=O)c1 ZINC000101330519 554731205 /nfs/dbraw/zinc/73/12/05/554731205.db2.gz OAIXDALCNTTXIS-UHFFFAOYSA-N 1 0 615.734 4.553 50 0 KJAARO O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101330527 554731250 /nfs/dbraw/zinc/73/12/50/554731250.db2.gz NCWVDLIKCMNUNS-UHFFFAOYSA-N 1 0 577.100 4.955 50 0 KJAARO Cc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O ZINC000101330639 554731556 /nfs/dbraw/zinc/73/15/56/554731556.db2.gz AWGJBDJHOSODHS-UHFFFAOYSA-N 1 0 615.734 4.553 50 0 KJAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101340950 554735447 /nfs/dbraw/zinc/73/54/47/554735447.db2.gz GNYVPMWIYNOREY-PMERELPUSA-N 1 0 563.720 4.911 50 0 KJAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101340953 554735226 /nfs/dbraw/zinc/73/52/26/554735226.db2.gz GNYVPMWIYNOREY-SSEXGKCCSA-N 1 0 563.720 4.911 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000101340972 554735342 /nfs/dbraw/zinc/73/53/42/554735342.db2.gz SFSHDUFWMWEENB-LYZGTLIUSA-N 1 0 558.169 4.969 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000101340974 554735455 /nfs/dbraw/zinc/73/54/55/554735455.db2.gz SFSHDUFWMWEENB-PIKZIKFNSA-N 1 0 558.169 4.969 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341043 554735387 /nfs/dbraw/zinc/73/53/87/554735387.db2.gz RZKGZAIUXHYULW-RXFWQSSRSA-N 1 0 544.142 4.579 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341046 554735370 /nfs/dbraw/zinc/73/53/70/554735370.db2.gz RZKGZAIUXHYULW-FNZWTVRRSA-N 1 0 544.142 4.579 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341067 554735252 /nfs/dbraw/zinc/73/52/52/554735252.db2.gz OGLOYWRHCATQHZ-MUUNZHRXSA-N 1 0 558.169 4.971 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341070 554735276 /nfs/dbraw/zinc/73/52/76/554735276.db2.gz OGLOYWRHCATQHZ-NDEPHWFRSA-N 1 0 558.169 4.971 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341076 554735360 /nfs/dbraw/zinc/73/53/60/554735360.db2.gz KUYMYAXDHLLKHV-HHHXNRCGSA-N 1 0 544.142 4.581 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341080 554735261 /nfs/dbraw/zinc/73/52/61/554735261.db2.gz KUYMYAXDHLLKHV-MHZLTWQESA-N 1 0 544.142 4.581 50 0 KJAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341150 554735698 /nfs/dbraw/zinc/73/56/98/554735698.db2.gz GBGFMSOPROSQRR-HHHXNRCGSA-N 1 0 544.142 4.662 50 0 KJAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341151 554735613 /nfs/dbraw/zinc/73/56/13/554735613.db2.gz GBGFMSOPROSQRR-MHZLTWQESA-N 1 0 544.142 4.662 50 0 KJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101341486 554735529 /nfs/dbraw/zinc/73/55/29/554735529.db2.gz MEKPHYJMPOQCOE-WINIVTDRSA-N 1 0 562.132 4.800 50 0 KJAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101341488 554735730 /nfs/dbraw/zinc/73/57/30/554735730.db2.gz MEKPHYJMPOQCOE-PPHZAIPVSA-N 1 0 562.132 4.800 50 0 KJAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3cccnc3)C2)c(C)c1C ZINC000101344925 1066205674 /nfs/dbraw/zinc/20/56/74/1066205674.db2.gz ZYEMHGLTCVGVBU-PXJZQJOASA-N 1 0 581.683 4.807 50 0 KJAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000101345095 554737068 /nfs/dbraw/zinc/73/70/68/554737068.db2.gz RWDVEYOCMZFOJB-LITSAYRRSA-N 1 0 527.713 4.830 50 0 KJAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)Nc2cccc(C)c2)CC1 ZINC000101345168 554737091 /nfs/dbraw/zinc/73/70/91/554737091.db2.gz MJFCZPIOXCGZSH-LITSAYRRSA-N 1 0 527.713 4.830 50 0 KJAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccncc3)C2)c(C)c1C ZINC000101345658 1066206092 /nfs/dbraw/zinc/20/60/92/1066206092.db2.gz HXQJKJCGIGHXTM-PXJZQJOASA-N 1 0 581.683 4.807 50 0 KJAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCCc2ccccn2)CC1 ZINC000101346036 554737402 /nfs/dbraw/zinc/73/74/02/554737402.db2.gz UQORDMPWGRRQIY-BHBYDHKZSA-N 1 0 576.185 4.895 50 0 KJAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)NC2CCCCCC2)CC1 ZINC000101346083 554737386 /nfs/dbraw/zinc/73/73/86/554737386.db2.gz QEPBYKCAQPUTFQ-LITSAYRRSA-N 1 0 533.761 4.722 50 0 KJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2cccc(Nc3nc4ccccc4n4cnnc34)c2)CC1 ZINC000101360650 554742214 /nfs/dbraw/zinc/74/22/14/554742214.db2.gz YYWBUOMRHLVKMW-UHFFFAOYSA-N 1 0 555.086 4.925 50 0 KJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cccc(Nc4nc5ccccc5n5cnnc45)c3)CC2)c1 ZINC000101361641 554743258 /nfs/dbraw/zinc/74/32/58/554743258.db2.gz YAMPILUUQMQHSG-UHFFFAOYSA-N 1 0 534.668 4.580 50 0 KJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc(Nc4nc5ccccc5n5cnnc45)cc3)CC2)c1 ZINC000101361671 554743246 /nfs/dbraw/zinc/74/32/46/554743246.db2.gz ISIJEWUDRUMCIK-UHFFFAOYSA-N 1 0 534.668 4.580 50 0 KJAARO COc1ccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)cc3N(C)C2=O)cc1 ZINC000101373135 554745169 /nfs/dbraw/zinc/74/51/69/554745169.db2.gz GHDKEMFYQPVMGB-BRPDVVIDSA-N 1 0 560.695 4.886 50 0 KJAARO COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc2N(C)C1=O ZINC000101373302 554745116 /nfs/dbraw/zinc/74/51/16/554745116.db2.gz VYHNXFNIHSUUBW-XHLNEMQHSA-N 1 0 560.695 4.886 50 0 KJAARO COc1ccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)cc3N(C)C2=O)cc1OC ZINC000101374074 554745795 /nfs/dbraw/zinc/74/57/95/554745795.db2.gz LKEDKQXGKBSZAP-COEJQBHMSA-N 1 0 590.721 4.895 50 0 KJAARO COc1cccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)cc3N(C)C2=O)c1 ZINC000101374342 554745789 /nfs/dbraw/zinc/74/57/89/554745789.db2.gz XYQMQVOJCKPBMM-BRPDVVIDSA-N 1 0 560.695 4.886 50 0 KJAARO COc1cccc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(=N)C2S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000101378020 554747351 /nfs/dbraw/zinc/74/73/51/554747351.db2.gz GKNNJBWCFHREFR-HSZRJFAPSA-N 1 0 539.053 4.964 50 0 KJAARO COc1cc(NC(=O)C(C)(C)N(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000101378458 554747505 /nfs/dbraw/zinc/74/75/05/554747505.db2.gz NNEKNKRPIKOYEZ-RBTNQOKQSA-N 1 0 553.700 4.845 50 0 KJAARO COc1cc(NC(=O)C(C)(C)N(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)C(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000101378459 554747542 /nfs/dbraw/zinc/74/75/42/554747542.db2.gz NNEKNKRPIKOYEZ-LYZGTLIUSA-N 1 0 553.700 4.845 50 0 KJAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000101400886 554760121 /nfs/dbraw/zinc/76/01/21/554760121.db2.gz ALNFNBUSPHKOQL-DFIMXKNXSA-N 1 0 531.399 4.642 50 0 KJAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000101400888 554760154 /nfs/dbraw/zinc/76/01/54/554760154.db2.gz ALNFNBUSPHKOQL-IMBSWCNGSA-N 1 0 531.399 4.642 50 0 KJAARO O=C1Nc2ccccc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000101400891 554760193 /nfs/dbraw/zinc/76/01/93/554760193.db2.gz ALNFNBUSPHKOQL-QUIZSENMSA-N 1 0 531.399 4.642 50 0 KJAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000101400895 554760230 /nfs/dbraw/zinc/76/02/30/554760230.db2.gz ALNFNBUSPHKOQL-NLJXWPIHSA-N 1 0 531.399 4.642 50 0 KJAARO COc1ccc(-n2nc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101415658 554764609 /nfs/dbraw/zinc/76/46/09/554764609.db2.gz XWDKDLCLCFHCRI-UHFFFAOYSA-N 1 0 534.060 4.630 50 0 KJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101416973 554765952 /nfs/dbraw/zinc/76/59/52/554765952.db2.gz HBWHILHVWGBLDC-ZRZAMGCNSA-N 1 0 545.705 4.778 50 0 KJAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101416977 554765957 /nfs/dbraw/zinc/76/59/57/554765957.db2.gz HBWHILHVWGBLDC-GOTSBHOMSA-N 1 0 545.705 4.778 50 0 KJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101416980 554765936 /nfs/dbraw/zinc/76/59/36/554765936.db2.gz HBWHILHVWGBLDC-DHIUTWEWSA-N 1 0 545.705 4.778 50 0 KJAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)NCCCN2CCN(c3ccccc3F)CC2)C1 ZINC000101417366 554766215 /nfs/dbraw/zinc/76/62/15/554766215.db2.gz HUOSIUBRPLRZQH-DEOSSOPVSA-N 1 0 554.110 4.983 50 0 KJAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCCCN2CCN(c3ccccc3F)CC2)C1 ZINC000101417369 554766251 /nfs/dbraw/zinc/76/62/51/554766251.db2.gz HUOSIUBRPLRZQH-XMMPIXPASA-N 1 0 554.110 4.983 50 0 KJAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nc4cc(-c5ccc(OC)cc5OC)nn4c3C)cc2)CC1 ZINC000101419367 554766725 /nfs/dbraw/zinc/76/67/25/554766725.db2.gz LCFJPIOEODJDDG-UHFFFAOYSA-N 1 0 542.684 4.744 50 0 KJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000101422918 554767694 /nfs/dbraw/zinc/76/76/94/554767694.db2.gz MXERLBGTKZXPMK-UHFFFAOYSA-N 1 0 567.646 4.637 50 0 KJAARO COc1ccc(CN2C[C@H](Sc3ncccn3)C[C@H]2C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c(OC)c1C ZINC000101425054 554768216 /nfs/dbraw/zinc/76/82/16/554768216.db2.gz LVKOKUAKZBSRSQ-UXAZTYALSA-N 1 0 591.822 4.506 50 0 KJAARO COc1ccc(-n2nc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101440892 554773182 /nfs/dbraw/zinc/77/31/82/554773182.db2.gz CKCDGGICETVIPX-UHFFFAOYSA-N 1 0 544.055 4.791 50 0 KJAARO COc1ccc(-n2nc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101441130 554773393 /nfs/dbraw/zinc/77/33/93/554773393.db2.gz JGKDZZMWAXYDDQ-UHFFFAOYSA-N 1 0 603.098 4.621 50 0 KJAARO CCn1cc(C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101447930 554774799 /nfs/dbraw/zinc/77/47/99/554774799.db2.gz RBSSKEJFFYAMSL-UHFFFAOYSA-N 1 0 566.768 4.615 50 0 KJAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456372 554777349 /nfs/dbraw/zinc/77/73/49/554777349.db2.gz NRMJZGIXEZHIEK-UHFFFAOYSA-N 1 0 629.182 4.881 50 0 KJAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000101456539 554777604 /nfs/dbraw/zinc/77/76/04/554777604.db2.gz HABPPVOANHFEEH-UHFFFAOYSA-N 1 0 549.668 4.815 50 0 KJAARO CN1CCN(C(=O)CCc2cn(C[NH+]3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c3ccccc23)CC1 ZINC000101478093 554782858 /nfs/dbraw/zinc/78/28/58/554782858.db2.gz SEAAAQPVONHCFN-UHFFFAOYSA-N 1 0 571.716 4.991 50 0 KJAARO C[C@@H]1CCC[C@H]([N@H+](CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)Cc2ccco2)[C@@H]1C ZINC000101495353 554786901 /nfs/dbraw/zinc/78/69/01/554786901.db2.gz VPGCDAFMBQRQMQ-ZLRJYYBNSA-N 1 0 541.696 4.809 50 0 KJAARO C[C@@H]1CCC[C@@H]([N@H+](CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)Cc2ccco2)[C@@H]1C ZINC000101495359 554786829 /nfs/dbraw/zinc/78/68/29/554786829.db2.gz VPGCDAFMBQRQMQ-BOYVUMAVSA-N 1 0 541.696 4.809 50 0 KJAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000101500273 554787942 /nfs/dbraw/zinc/78/79/42/554787942.db2.gz FAUGSWWBWGBEJV-CMDGGOBGSA-N 1 0 560.736 4.568 50 0 KJAARO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000101500375 554788260 /nfs/dbraw/zinc/78/82/60/554788260.db2.gz AJZRARCSZABLDT-CSKARUKUSA-N 1 0 584.689 4.613 50 0 KJAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000101500417 554788288 /nfs/dbraw/zinc/78/82/88/554788288.db2.gz ZJISNEVCOSXQJB-OUKQBFOZSA-N 1 0 562.736 4.643 50 0 KJAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000101517676 554793861 /nfs/dbraw/zinc/79/38/61/554793861.db2.gz VWXKOQMSGFDBGP-XMMPIXPASA-N 1 0 509.528 4.624 50 0 KJAARO COc1cc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000101554851 554796655 /nfs/dbraw/zinc/79/66/55/554796655.db2.gz QYDYPIPRXUGGGL-HHHXNRCGSA-N 1 0 543.664 4.580 50 0 KJAARO COc1cc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000101554859 554796625 /nfs/dbraw/zinc/79/66/25/554796625.db2.gz QYDYPIPRXUGGGL-MHZLTWQESA-N 1 0 543.664 4.580 50 0 KJAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC[NH+]4CCCCCC4)CC3)s2)cc1 ZINC000101575341 554798655 /nfs/dbraw/zinc/79/86/55/554798655.db2.gz RWQMOXBOUJQCJS-UHFFFAOYSA-N 1 0 551.761 4.548 50 0 KJAARO CCC[NH+](CCC)CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(OCC)cc3)s2)CC1 ZINC000101575499 554799081 /nfs/dbraw/zinc/79/90/81/554799081.db2.gz PORQKTLOHOCZJE-UHFFFAOYSA-N 1 0 553.777 4.794 50 0 KJAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)s2)cc1 ZINC000101575509 554799117 /nfs/dbraw/zinc/79/91/17/554799117.db2.gz ULJRITTZPBQPET-QFIPXVFZSA-N 1 0 551.761 4.547 50 0 KJAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)s2)cc1 ZINC000101575516 554799027 /nfs/dbraw/zinc/79/90/27/554799027.db2.gz ULJRITTZPBQPET-JOCHJYFZSA-N 1 0 551.761 4.547 50 0 KJAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)CC3)s2)cc1 ZINC000101575705 554799097 /nfs/dbraw/zinc/79/90/97/554799097.db2.gz SNXLYGDHNQBBNG-UHFFFAOYSA-N 1 0 642.874 4.880 50 0 KJAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC[N@H+](C)C4CCCCC4)CC3)s2)cc1 ZINC000101575754 554798995 /nfs/dbraw/zinc/79/89/95/554798995.db2.gz ZZRCDIRCDBDSIO-UHFFFAOYSA-N 1 0 565.788 4.937 50 0 KJAARO Cc1c(C(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000101588647 554801624 /nfs/dbraw/zinc/80/16/24/554801624.db2.gz UDKPUJXXIZDBJJ-UHFFFAOYSA-N 1 0 541.671 4.988 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(OC)c1OC)C3=O ZINC000101614412 554805864 /nfs/dbraw/zinc/80/58/64/554805864.db2.gz YLEFLRSGHVDWLP-KVSUUNMHSA-N 1 0 576.738 4.566 50 0 KJAARO COc1ccc(-n2cc(C(=O)NCCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c3ccccc3c2=O)cc1 ZINC000101617516 554806450 /nfs/dbraw/zinc/80/64/50/554806450.db2.gz MAEALHDNDWYJTO-UHFFFAOYSA-N 1 0 545.083 4.903 50 0 KJAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)[C@H]1c1cccs1 ZINC000101617720 554806385 /nfs/dbraw/zinc/80/63/85/554806385.db2.gz LBSAPWVATAANLU-LOYHVIPDSA-N 1 0 560.764 4.621 50 0 KJAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)[C@H]1c1cccs1 ZINC000101617723 554806432 /nfs/dbraw/zinc/80/64/32/554806432.db2.gz LBSAPWVATAANLU-XZWHSSHBSA-N 1 0 560.764 4.621 50 0 KJAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)[C@@H]1c1cccs1 ZINC000101617727 554806422 /nfs/dbraw/zinc/80/64/22/554806422.db2.gz LBSAPWVATAANLU-IHLOFXLRSA-N 1 0 560.764 4.621 50 0 KJAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)[C@@H]1c1cccs1 ZINC000101617731 554806446 /nfs/dbraw/zinc/80/64/46/554806446.db2.gz LBSAPWVATAANLU-KYJUHHDHSA-N 1 0 560.764 4.621 50 0 KJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000101618391 554806679 /nfs/dbraw/zinc/80/66/79/554806679.db2.gz DMJCBXMYMJHUSH-KAYWLYCHSA-N 1 0 537.129 4.949 50 0 KJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000101618394 554806692 /nfs/dbraw/zinc/80/66/92/554806692.db2.gz DMJCBXMYMJHUSH-RRPNLBNLSA-N 1 0 537.129 4.949 50 0 KJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000101618397 554806638 /nfs/dbraw/zinc/80/66/38/554806638.db2.gz DMJCBXMYMJHUSH-SXOMAYOGSA-N 1 0 537.129 4.949 50 0 KJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000101618399 554806703 /nfs/dbraw/zinc/80/67/03/554806703.db2.gz DMJCBXMYMJHUSH-SVBPBHIXSA-N 1 0 537.129 4.949 50 0 KJAARO COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000101618647 554806728 /nfs/dbraw/zinc/80/67/28/554806728.db2.gz DRXRBIUBDNBGGM-MGBGTMOVSA-N 1 0 536.676 4.845 50 0 KJAARO COc1ccccc1CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000101618651 554806645 /nfs/dbraw/zinc/80/66/45/554806645.db2.gz DRXRBIUBDNBGGM-XIFFEERXSA-N 1 0 536.676 4.845 50 0 KJAARO CCOc1ccccc1CN1C(=O)c2cc3ccc(OC)cc3n2C[C@@]1(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000101622055 554809571 /nfs/dbraw/zinc/80/95/71/554809571.db2.gz QKQRDLIKZUEZJT-LOTJKCTMSA-N 1 0 560.739 4.948 50 0 KJAARO CCOc1ccccc1CN1C(=O)c2cc3ccc(OC)cc3n2C[C@]1(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000101622061 554809599 /nfs/dbraw/zinc/80/95/99/554809599.db2.gz QKQRDLIKZUEZJT-KECSPFHLSA-N 1 0 560.739 4.948 50 0 KJAARO CCOc1ccccc1CN1C(=O)c2cc3ccc(OC)cc3n2C[C@]1(C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000101622067 554809620 /nfs/dbraw/zinc/80/96/20/554809620.db2.gz QKQRDLIKZUEZJT-YHJOQWEYSA-N 1 0 560.739 4.948 50 0 KJAARO CCOc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@@]2(C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000101622114 554809596 /nfs/dbraw/zinc/80/95/96/554809596.db2.gz BWPXUZSMNPJVMG-LOTJKCTMSA-N 1 0 560.739 4.948 50 0 KJAARO CCOc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@]2(C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000101622118 554809557 /nfs/dbraw/zinc/80/95/57/554809557.db2.gz BWPXUZSMNPJVMG-KECSPFHLSA-N 1 0 560.739 4.948 50 0 KJAARO CCOc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@]2(C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000101622126 554809579 /nfs/dbraw/zinc/80/95/79/554809579.db2.gz BWPXUZSMNPJVMG-YHJOQWEYSA-N 1 0 560.739 4.948 50 0 KJAARO COc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@@]2(C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000101622897 554810328 /nfs/dbraw/zinc/81/03/28/554810328.db2.gz MDPOCKBXLAANEA-YBBGPBPVSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1OC)C3=O ZINC000101623031 554810575 /nfs/dbraw/zinc/81/05/75/554810575.db2.gz IMTTWSUYJSHMAS-YBBGPBPVSA-N 1 0 546.712 4.557 50 0 KJAARO O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000101632398 554812038 /nfs/dbraw/zinc/81/20/38/554812038.db2.gz KEMQPALGGJCUHQ-VFCFBJKWSA-N 1 0 549.046 4.574 50 0 KJAARO O=C(CN1C(=O)/C(=C\c2ccccc2F)Oc2ccccc21)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101636090 554812881 /nfs/dbraw/zinc/81/28/81/554812881.db2.gz PLQOUTYZWCXFNC-TURZUDJPSA-N 1 0 549.046 4.574 50 0 KJAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000101637695 554813673 /nfs/dbraw/zinc/81/36/73/554813673.db2.gz YPHHTXBWTNDBGW-UHFFFAOYSA-N 1 0 629.182 4.881 50 0 KJAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000101642116 554814432 /nfs/dbraw/zinc/81/44/32/554814432.db2.gz SWZWUFGRXCYEOS-UHFFFAOYSA-N 1 0 629.589 4.600 50 0 KJAARO COCCCN(C(=O)c1ccc(-c2ccccc2OC)nc1N1CCN(c2ccccc2F)CC1)C1CC[NH+](C)CC1 ZINC000101666315 554822602 /nfs/dbraw/zinc/82/26/02/554822602.db2.gz MNOVJZNPONZZCK-UHFFFAOYSA-N 1 0 575.729 4.796 50 0 KJAARO CCCC[N@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21)Cc1ccccc1 ZINC000101681349 554828496 /nfs/dbraw/zinc/82/84/96/554828496.db2.gz AKZVTKBWJBTXHN-UHFFFAOYSA-N 1 0 601.773 4.740 50 0 KJAARO COc1ccc(Br)cc1CNC(=O)CNC(=S)N1CC[N@H+](Cc2ccc(C)cc2)C2(CCCCC2)C1 ZINC000101685148 554829435 /nfs/dbraw/zinc/82/94/35/554829435.db2.gz RZBUPTWPKACLIJ-UHFFFAOYSA-N 1 0 573.601 4.778 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCC[N@H+](C)Cc4ccccc4)c3c2)CC1 ZINC000101687776 554829960 /nfs/dbraw/zinc/82/99/60/554829960.db2.gz HMRIEZXARWTMFW-UHFFFAOYSA-N 1 0 557.720 4.579 50 0 KJAARO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000101688664 554830200 /nfs/dbraw/zinc/83/02/00/554830200.db2.gz VMAWBTWYEKRUKI-ANYBSYGZSA-N 1 0 544.696 4.942 50 0 KJAARO COc1ccc(CNc2cc(C(=O)NCCCn3ccnc3)cc(S(=O)(=O)Nc3ccccc3)c2)c(C)c1C ZINC000101729325 554833218 /nfs/dbraw/zinc/83/32/18/554833218.db2.gz ZHNMHGCRGWPVQI-UHFFFAOYSA-N 1 0 547.681 4.742 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000101740470 554834011 /nfs/dbraw/zinc/83/40/11/554834011.db2.gz ISOZENFDVPJHPA-AHWVRZQESA-N 1 0 538.710 4.551 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000101740477 554833980 /nfs/dbraw/zinc/83/39/80/554833980.db2.gz ISOZENFDVPJHPA-RSXGOPAZSA-N 1 0 538.710 4.551 50 0 KJAARO COc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NCCCn2ccnc2)cc1 ZINC000101751142 1066210401 /nfs/dbraw/zinc/21/04/01/1066210401.db2.gz IZKMVPQFMQPPSK-ULJHMMPZSA-N 1 0 549.425 4.892 50 0 KJAARO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](CC)CC4)cc(C(C)(C)C)n3)cc2)C1 ZINC000101755109 554835782 /nfs/dbraw/zinc/83/57/82/554835782.db2.gz QLMFUNJTTWBWKB-DEOSSOPVSA-N 1 0 553.773 4.624 50 0 KJAARO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](CC)CC4)cc(C(C)(C)C)n3)cc2)C1 ZINC000101755114 554835824 /nfs/dbraw/zinc/83/58/24/554835824.db2.gz QLMFUNJTTWBWKB-XMMPIXPASA-N 1 0 553.773 4.624 50 0 KJAARO COc1cc(CN2C(=O)c3cccc(N4CC[NH+](C/C(C)=C/c5ccccc5)CC4)c3C2=O)cc(OC)c1OC ZINC000101781185 1066210788 /nfs/dbraw/zinc/21/07/88/1066210788.db2.gz QTCYLFBQUXKKBO-OQKWZONESA-N 1 0 541.648 4.734 50 0 KJAARO COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC[NH+]1CCCC1)C(=O)c1ccccc1OC ZINC000101781958 554838570 /nfs/dbraw/zinc/83/85/70/554838570.db2.gz FJYAHCPGGFZOEL-VWLOTQADSA-N 1 0 563.720 4.508 50 0 KJAARO COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC[NH+]1CCCC1)C(=O)c1ccccc1OC ZINC000101781962 554838498 /nfs/dbraw/zinc/83/84/98/554838498.db2.gz FJYAHCPGGFZOEL-RUZDIDTESA-N 1 0 563.720 4.508 50 0 KJAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000101826931 554841468 /nfs/dbraw/zinc/84/14/68/554841468.db2.gz UAXHNKZBQMRZAT-MDZDMXLPSA-N 1 0 556.773 4.737 50 0 KJAARO Cc1cccc(N2CC[NH+](Cc3cccc(OCCCNC(=O)CN4C[C@H](c5ccccc5)CC4=O)c3)CC2)c1C ZINC000101838439 1066210857 /nfs/dbraw/zinc/21/08/57/1066210857.db2.gz JWLWZLVDJGLWGL-SSEXGKCCSA-N 1 0 554.735 4.527 50 0 KJAARO Cc1cccc(N2CC[NH+](Cc3cccc(OCCCNC(=O)CN4C[C@@H](c5ccccc5)CC4=O)c3)CC2)c1C ZINC000101838444 1066210829 /nfs/dbraw/zinc/21/08/29/1066210829.db2.gz JWLWZLVDJGLWGL-PMERELPUSA-N 1 0 554.735 4.527 50 0 KJAARO O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O ZINC000101855478 554843555 /nfs/dbraw/zinc/84/35/55/554843555.db2.gz BEHSEUIHDAYAKR-UHFFFAOYSA-N 1 0 543.630 4.679 50 0 KJAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)S(=O)(=O)c1ccccc1 ZINC000101867279 554845141 /nfs/dbraw/zinc/84/51/41/554845141.db2.gz LKPQFCSALNXDEK-UHFFFAOYSA-N 1 0 541.737 4.951 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3ccc(Cl)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000101868213 554845415 /nfs/dbraw/zinc/84/54/15/554845415.db2.gz SXAIXSFVFKXGDI-UHFFFAOYSA-N 1 0 548.128 4.962 50 0 KJAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000101868610 554845421 /nfs/dbraw/zinc/84/54/21/554845421.db2.gz NAFCKIXIETZFKL-UHFFFAOYSA-N 1 0 545.700 4.844 50 0 KJAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000101868717 554845441 /nfs/dbraw/zinc/84/54/41/554845441.db2.gz KBZCFMHMLHNAJR-UHFFFAOYSA-N 1 0 535.636 4.552 50 0 KJAARO CC[NH+]1CCN(c2c(CN(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000101868799 554845407 /nfs/dbraw/zinc/84/54/07/554845407.db2.gz GWDOJFXOYJOTPA-UHFFFAOYSA-N 1 0 565.637 4.834 50 0 KJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CN1Cc1ccc(Cl)cc1 ZINC000101871588 1066211260 /nfs/dbraw/zinc/21/12/60/1066211260.db2.gz FQURRVSIRQEZDI-KYJUHHDHSA-N 1 0 575.153 4.625 50 0 KJAARO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)NCc1cccnc1 ZINC000101888717 554846207 /nfs/dbraw/zinc/84/62/07/554846207.db2.gz IVNFFUKKLKLRLS-LITSAYRRSA-N 1 0 550.122 4.983 50 0 KJAARO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)NCc1cccnc1 ZINC000101890172 554846474 /nfs/dbraw/zinc/84/64/74/554846474.db2.gz CNAQGCDXSIKDGG-LITSAYRRSA-N 1 0 550.122 4.983 50 0 KJAARO O=C([C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CN1Cc1cccnc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101891410 1066211318 /nfs/dbraw/zinc/21/13/18/1066211318.db2.gz NVZGOJKQVCSDOS-VPUSJEBWSA-N 1 0 558.048 4.835 50 0 KJAARO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3cccnc3)C2)c1 ZINC000101891560 1066211918 /nfs/dbraw/zinc/21/19/18/1066211918.db2.gz CGWZFPDSKLTRPO-PXJZQJOASA-N 1 0 551.657 4.799 50 0 KJAARO COc1ccc(C(=O)N2CCN(CCOc3ccc(C[N@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)cc1OC ZINC000101900738 554847399 /nfs/dbraw/zinc/84/73/99/554847399.db2.gz JSQUHFDGEPYSQJ-UHFFFAOYSA-N 1 0 554.691 4.721 50 0 KJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000101917446 554850646 /nfs/dbraw/zinc/85/06/46/554850646.db2.gz YNFAUOWPSDJLOH-UHFFFAOYSA-N 1 0 624.804 4.744 50 0 KJAARO Cc1cccc(N2CC[NH+](Cc3cccc(OCCCNC(=O)c4cccc(N5CCCC5=O)c4)c3)CC2)c1C ZINC000101923170 1066211758 /nfs/dbraw/zinc/21/17/58/1066211758.db2.gz AEPSYKLWNVAHAT-UHFFFAOYSA-N 1 0 540.708 4.951 50 0 KJAARO O=C(COc1ccc(-c2ncccn2)cc1C[N@@H+]1CCc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000101952017 1066211851 /nfs/dbraw/zinc/21/18/51/1066211851.db2.gz XXUKLBVXGSYKPC-UHFFFAOYSA-N 1 0 537.639 4.569 50 0 KJAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N(C)Cc2cscn2)CC1 ZINC000101960686 554853589 /nfs/dbraw/zinc/85/35/89/554853589.db2.gz HGFIVBSIYFGRKQ-XTEPFMGCSA-N 1 0 547.769 4.603 50 0 KJAARO COc1ccc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000101965485 554853945 /nfs/dbraw/zinc/85/39/45/554853945.db2.gz ZUPJPPATGXCEBH-NAKRPHOHSA-N 1 0 518.621 4.556 50 0 KJAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101979424 554863582 /nfs/dbraw/zinc/86/35/82/554863582.db2.gz OQBSXNRUHOVHNW-LOYHVIPDSA-N 1 0 542.749 4.905 50 0 KJAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101979428 554863642 /nfs/dbraw/zinc/86/36/42/554863642.db2.gz OQBSXNRUHOVHNW-XZWHSSHBSA-N 1 0 542.749 4.905 50 0 KJAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101979433 554863587 /nfs/dbraw/zinc/86/35/87/554863587.db2.gz OQBSXNRUHOVHNW-IHLOFXLRSA-N 1 0 542.749 4.905 50 0 KJAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101979436 554863652 /nfs/dbraw/zinc/86/36/52/554863652.db2.gz OQBSXNRUHOVHNW-KYJUHHDHSA-N 1 0 542.749 4.905 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(CCCc1ccccc1)C3=O ZINC000101991052 554863915 /nfs/dbraw/zinc/86/39/15/554863915.db2.gz JMAUDSZGGIKASF-DVIHYUSWSA-N 1 0 544.740 4.981 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(OC)c1)C3=O ZINC000101991093 554863894 /nfs/dbraw/zinc/86/38/94/554863894.db2.gz QEWPEIDXZOGOIU-YBBGPBPVSA-N 1 0 546.712 4.557 50 0 KJAARO COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000101991195 554864191 /nfs/dbraw/zinc/86/41/91/554864191.db2.gz TWNUZWJIHMARIM-YBBGPBPVSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000101996704 554865388 /nfs/dbraw/zinc/86/53/88/554865388.db2.gz VCTAZFCTKXOUEH-RRPNLBNLSA-N 1 0 557.691 4.594 50 0 KJAARO COCCCN(C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccc4ccccc42)C3=O)CC1)C1CC[NH+](C)CC1 ZINC000102001145 554865995 /nfs/dbraw/zinc/86/59/95/554865995.db2.gz NOFAURJUBSLCRL-UHFFFAOYSA-N 1 0 582.745 4.812 50 0 KJAARO COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)N3CCC(C)CC3)C2)c1OC ZINC000102011418 554866890 /nfs/dbraw/zinc/86/68/90/554866890.db2.gz UECIXLPSKDONPL-LITSAYRRSA-N 1 0 566.762 4.894 50 0 KJAARO COc1cccc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3)C2)c1OC ZINC000102015754 554867159 /nfs/dbraw/zinc/86/71/59/554867159.db2.gz LXMJGYPBLDEOGC-XCZPVHLTSA-N 1 0 582.667 4.804 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2ccc(OC)c(C)c2OC)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102019290 554867169 /nfs/dbraw/zinc/86/71/69/554867169.db2.gz YBLIQASHVHJFBO-BKMJKUGQSA-N 1 0 563.661 4.997 50 0 KJAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OC)c3ccccc23)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000102019655 554867201 /nfs/dbraw/zinc/86/72/01/554867201.db2.gz SADIWQFHQRITTR-LBNVMWSVSA-N 1 0 531.697 4.823 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1OC ZINC000102048564 554870761 /nfs/dbraw/zinc/87/07/61/554870761.db2.gz QZEVDSSFOUTDDQ-WUFINQPMSA-N 1 0 541.692 4.894 50 0 KJAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)c(C)c1C ZINC000102068729 554873640 /nfs/dbraw/zinc/87/36/40/554873640.db2.gz KRZINKLTMLGHRP-SXOMAYOGSA-N 1 0 550.099 4.786 50 0 KJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)cc(I)c2OC)N3)C1 ZINC000102098497 554880404 /nfs/dbraw/zinc/88/04/04/554880404.db2.gz SEVVJMQKVSOWHR-INIZCTEOSA-N 1 0 595.244 4.773 50 0 KJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)cc(I)c2OC)N3)C1 ZINC000102098500 554880368 /nfs/dbraw/zinc/88/03/68/554880368.db2.gz SEVVJMQKVSOWHR-MRXNPFEDSA-N 1 0 595.244 4.773 50 0 KJAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3)C2)cc1O ZINC000102135526 1066218643 /nfs/dbraw/zinc/21/86/43/1066218643.db2.gz TZKJUSCBBGQGCE-VPUSJEBWSA-N 1 0 568.640 4.501 50 0 KJAARO Cc1cccc(N2CC[NH+](Cc3cccc(OCCCNC(=O)c4ccc(N5CCOCC5)cc4)c3)CC2)c1C ZINC000102136063 1066218502 /nfs/dbraw/zinc/21/85/02/1066218502.db2.gz DQPDOMYULDVHEP-UHFFFAOYSA-N 1 0 542.724 4.661 50 0 KJAARO O=C([C@@H]1C[C@H](Sc2ncccn2)CN1Cc1c(F)cccc1Cl)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000102141844 554888602 /nfs/dbraw/zinc/88/86/02/554888602.db2.gz DWWQXDSPDSMOSA-NNPPXWSMSA-N 1 0 570.178 4.973 50 0 KJAARO COc1ccc(CNC(=O)CC[C@H]2C[N@@H+](C3Cc4ccccc4C3)CC[C@H]2N2CCN(c3ccccc3F)CC2)cc1 ZINC000102153820 554889676 /nfs/dbraw/zinc/88/96/76/554889676.db2.gz VESMCDMBVCPZET-RYCFQHDISA-N 1 0 570.753 4.911 50 0 KJAARO COc1cc2c(cc1CN1C[C@H](n3cnnn3)C[C@H]1C(=O)NCCc1ccc(F)cc1)oc(C)c2-c1ccccc1 ZINC000102163482 554890418 /nfs/dbraw/zinc/89/04/18/554890418.db2.gz MJZNBOLQCHMPRM-VPUSJEBWSA-N 1 0 554.626 4.717 50 0 KJAARO COc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)n3c2=O)cc1C ZINC000102166662 554890399 /nfs/dbraw/zinc/89/03/99/554890399.db2.gz QBAYJRJCUANOCO-UHFFFAOYSA-N 1 0 582.730 4.557 50 0 KJAARO COc1cc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)cc(OC)c1OC ZINC000102166873 1066218749 /nfs/dbraw/zinc/21/87/49/1066218749.db2.gz XLXHZVNHTFVOLP-AHWVRZQESA-N 1 0 556.078 4.597 50 0 KJAARO COc1ccc2ccccc2c1C[NH2+][C@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2ccccc2)C1 ZINC000102168945 1066219062 /nfs/dbraw/zinc/21/90/62/1066219062.db2.gz ZGYAEQGCJKHBDI-WNJJXGMVSA-N 1 0 537.660 4.669 50 0 KJAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)c(OC)c1OC ZINC000102168985 554890960 /nfs/dbraw/zinc/89/09/60/554890960.db2.gz DBFXYXGNFKCUDP-AHWVRZQESA-N 1 0 556.078 4.597 50 0 KJAARO COc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)cc1C ZINC000102169681 1066497543 /nfs/dbraw/zinc/49/75/43/1066497543.db2.gz WQMQFNGWKRBDRH-SXOMAYOGSA-N 1 0 550.099 4.786 50 0 KJAARO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)cc1 ZINC000102169750 1066219149 /nfs/dbraw/zinc/21/91/49/1066219149.db2.gz ZHHQJQYEXAYQQW-VPUSJEBWSA-N 1 0 536.072 4.559 50 0 KJAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3ccc(Cl)cc3)C2)c(C)c1C ZINC000102170092 1066497598 /nfs/dbraw/zinc/49/75/98/1066497598.db2.gz KOXSKMQUNURYER-SVBPBHIXSA-N 1 0 550.099 4.786 50 0 KJAARO CC(=O)c1ccc(N2CCN(C(=O)CC[C@H]3C[N@H+](Cc4cccc5ccccc54)CC[C@H]3N3CCOCC3)CC2)cc1 ZINC000102189192 554894144 /nfs/dbraw/zinc/89/41/44/554894144.db2.gz RCIIYQMSYGHKNY-AFPLUKJUSA-N 1 0 568.762 4.694 50 0 KJAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000102191837 554894825 /nfs/dbraw/zinc/89/48/25/554894825.db2.gz LOUDRRBBVKVKKV-UHFFFAOYSA-N 1 0 613.590 4.982 50 0 KJAARO COc1cc(C(=O)NCCCOc2cccc(C[NH+]3CCN(c4cccc(C)c4C)CC3)c2)cc(OC)c1OC ZINC000102192247 554894833 /nfs/dbraw/zinc/89/48/33/554894833.db2.gz CVNJZZSMPMCJGT-UHFFFAOYSA-N 1 0 547.696 4.850 50 0 KJAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000102194061 554895431 /nfs/dbraw/zinc/89/54/31/554895431.db2.gz XPMVUVLBEMPQPS-UHFFFAOYSA-N 1 0 599.563 4.592 50 0 KJAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3)C2)cc1OC ZINC000102240653 1066220740 /nfs/dbraw/zinc/22/07/40/1066220740.db2.gz KFMMCOUXNWBCMB-IAPPQJPRSA-N 1 0 582.667 4.804 50 0 KJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(OC)c1)C(c1ccc(Br)cc1)=N2 ZINC000102244065 554903320 /nfs/dbraw/zinc/90/33/20/554903320.db2.gz UZKSBZGORXGIHQ-UHFFFAOYSA-N 1 0 545.503 4.851 50 0 KJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)cc1OC)C(c1ccc(Br)cc1)=N2 ZINC000102244073 554903276 /nfs/dbraw/zinc/90/32/76/554903276.db2.gz YCGCMYHYGPSIGQ-UHFFFAOYSA-N 1 0 545.503 4.851 50 0 KJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(OC)cc(OC)c1)C(c1ccc(Br)cc1)=N2 ZINC000102244091 554903211 /nfs/dbraw/zinc/90/32/11/554903211.db2.gz NNKWYHMFQVNKPA-UHFFFAOYSA-N 1 0 545.503 4.851 50 0 KJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCCO3)C(c1ccc(Br)cc1)=N2 ZINC000102244106 554903505 /nfs/dbraw/zinc/90/35/05/554903505.db2.gz ZAOHHSSSNWKJPE-UHFFFAOYSA-N 1 0 543.487 4.605 50 0 KJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccc(Br)cc1)=N2 ZINC000102244111 554903426 /nfs/dbraw/zinc/90/34/26/554903426.db2.gz AOUQCIZKBWAJPJ-UHFFFAOYSA-N 1 0 529.460 4.563 50 0 KJAARO O=C(C[N@H+](C[C@@H](O)COCc1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000102275500 554906427 /nfs/dbraw/zinc/90/64/27/554906427.db2.gz GKDPDFJSNIDVSF-NAKRPHOHSA-N 1 0 538.685 4.682 50 0 KJAARO O=C(C[N@H+](C[C@H](O)COCc1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000102275505 554906388 /nfs/dbraw/zinc/90/63/88/554906388.db2.gz GKDPDFJSNIDVSF-LSYYVWMOSA-N 1 0 538.685 4.682 50 0 KJAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1 ZINC000102284766 554907261 /nfs/dbraw/zinc/90/72/61/554907261.db2.gz NXHSZSXCFDZULX-UHFFFAOYSA-N 1 0 545.492 4.749 50 0 KJAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](Cc3c[nH]c4ccccc34)C2)cc1OC ZINC000102299925 554908430 /nfs/dbraw/zinc/90/84/30/554908430.db2.gz DEKQTKHDSVPZHB-FCHUYYIVSA-N 1 0 544.627 4.717 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1OC ZINC000102307536 554909497 /nfs/dbraw/zinc/90/94/97/554909497.db2.gz ZWCIVKQHLKOFMW-IZZNHLLZSA-N 1 0 545.655 4.725 50 0 KJAARO CCOC(=O)N1CCN(c2nc3cc(OC)c(OC)cc3cc2C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000102307714 1066220680 /nfs/dbraw/zinc/22/06/80/1066220680.db2.gz BCJJHQPBCDDUAZ-UHFFFAOYSA-N 1 0 532.563 4.839 50 0 KJAARO CCOc1cc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)ccc1OC ZINC000102310291 1066221558 /nfs/dbraw/zinc/22/15/58/1066221558.db2.gz QMWACCSKJJMBKF-BDYUSTAISA-N 1 0 540.079 4.978 50 0 KJAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)cc1 ZINC000102311739 1066221357 /nfs/dbraw/zinc/22/13/57/1066221357.db2.gz UKHUOVMRXHWZFE-WNJJXGMVSA-N 1 0 562.089 4.969 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2ccc(OC)cc2OC)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102312061 554909732 /nfs/dbraw/zinc/90/97/32/554909732.db2.gz KEYQLHXPHXDSIW-HFZDXXHNSA-N 1 0 549.634 4.689 50 0 KJAARO Cn1cnnc1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2OCC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000102312214 554909775 /nfs/dbraw/zinc/90/97/75/554909775.db2.gz HTPXAWXABONXAW-BUALBWRZSA-N 1 0 511.670 4.569 50 0 KJAARO COc1ccc(C(=O)N(CC[NH+]2CCCC2)CC(=O)N(Cc2sccc2C)Cc2ccc(F)cc2)c(OC)c1 ZINC000102337007 554912955 /nfs/dbraw/zinc/91/29/55/554912955.db2.gz TYIQEPNMGUVUJH-UHFFFAOYSA-N 1 0 553.700 4.980 50 0 KJAARO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000102337421 554912941 /nfs/dbraw/zinc/91/29/41/554912941.db2.gz RHHFFIGCVYAZFR-PZGXJGMVSA-N 1 0 547.721 4.784 50 0 KJAARO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)c1 ZINC000102337425 554912783 /nfs/dbraw/zinc/91/27/83/554912783.db2.gz RHHFFIGCVYAZFR-ZTOMLWHTSA-N 1 0 547.721 4.784 50 0 KJAARO COc1cccc(C(=O)N(CC[NH+]2CCCC2)CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)c1 ZINC000102340920 554913120 /nfs/dbraw/zinc/91/31/20/554913120.db2.gz WQBKZMBSGOUKLL-MHZLTWQESA-N 1 0 551.684 4.639 50 0 KJAARO COc1cccc(C(=O)N(CC[NH+]2CCCC2)CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)c1 ZINC000102340926 554913117 /nfs/dbraw/zinc/91/31/17/554913117.db2.gz WQBKZMBSGOUKLL-HHHXNRCGSA-N 1 0 551.684 4.639 50 0 KJAARO CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC000102345947 554913427 /nfs/dbraw/zinc/91/34/27/554913427.db2.gz HXWWMPUEKYPESO-UHFFFAOYSA-N 1 0 533.481 4.823 50 0 KJAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](CCc3ccccc3)C2)cc1OC ZINC000102346926 554913340 /nfs/dbraw/zinc/91/33/40/554913340.db2.gz BPVVOPUPUGWKBI-WUFINQPMSA-N 1 0 541.692 4.628 50 0 KJAARO COc1cc(C[C@H](C)[NH+]2CCN(c3cccc4c3C(=O)N(Cc3cccc(C(F)(F)F)c3)C4=O)CC2)ccc1O ZINC000102371582 554916443 /nfs/dbraw/zinc/91/64/43/554916443.db2.gz KACGIUXKKMUSDE-IBGZPJMESA-N 1 0 553.581 4.969 50 0 KJAARO COc1cc(C[C@@H](C)[NH+]2CCN(c3cccc4c3C(=O)N(Cc3cccc(C(F)(F)F)c3)C4=O)CC2)ccc1O ZINC000102371587 554916420 /nfs/dbraw/zinc/91/64/20/554916420.db2.gz KACGIUXKKMUSDE-LJQANCHMSA-N 1 0 553.581 4.969 50 0 KJAARO O=C([C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102374541 554917869 /nfs/dbraw/zinc/91/78/69/554917869.db2.gz AKBBJGGXDLEYIY-IAPPQJPRSA-N 1 0 540.605 4.926 50 0 KJAARO COc1ccc(NS(=O)(=O)c2cc(NCc3ccc4ccccc4c3)cc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000102381867 1066222273 /nfs/dbraw/zinc/22/22/73/1066222273.db2.gz GQDYEEBLBYNCJF-UHFFFAOYSA-N 1 0 532.666 4.553 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2coc3ccccc3c2=O)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102382567 554918556 /nfs/dbraw/zinc/91/85/56/554918556.db2.gz XDGVKMJGUSCQCE-HFZDXXHNSA-N 1 0 557.613 4.778 50 0 KJAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3ccc(OC)c(OC)c3)C2)cc1OC ZINC000102385981 554918698 /nfs/dbraw/zinc/91/86/98/554918698.db2.gz SEQKREQNIKVCOK-RRPNLBNLSA-N 1 0 587.717 4.603 50 0 KJAARO CCC[NH+]1CCC(Nc2cnc3c(c2)c(NC(=O)CCOC)c(C(=O)OC)n3CCc2c[nH]c3ccccc23)CC1 ZINC000102402590 554920104 /nfs/dbraw/zinc/92/01/04/554920104.db2.gz GMWMFGCCHGCSLX-UHFFFAOYSA-N 1 0 560.699 4.808 50 0 KJAARO COCCC(=O)Nc1c2cc(NC3CC[NH+](C(C)C)CC3)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000102404882 554920576 /nfs/dbraw/zinc/92/05/76/554920576.db2.gz FYSSNLXGUCGOJN-UHFFFAOYSA-N 1 0 560.699 4.807 50 0 KJAARO COc1ccc(C(=O)NCCCOc2cccc(C[NH+]3CCN(c4cccc(C)c4C)CC3)c2)c(OC)c1OC ZINC000102410193 1066223508 /nfs/dbraw/zinc/22/35/08/1066223508.db2.gz PHZYBPDLQYALMW-UHFFFAOYSA-N 1 0 547.696 4.850 50 0 KJAARO COc1cc(C)c(C[NH2+][C@H]2C[C@@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)N(C3Cc4ccccc4C3)C2)cc1C ZINC000102479242 1066223914 /nfs/dbraw/zinc/22/39/14/1066223914.db2.gz PAVCGGFTLINTMH-SMCANUKXSA-N 1 0 569.746 4.614 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000102481268 554937032 /nfs/dbraw/zinc/93/70/32/554937032.db2.gz AYGFAXSZSPFHDH-LJQANCHMSA-N 1 0 527.509 4.854 50 0 KJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000102481272 554937023 /nfs/dbraw/zinc/93/70/23/554937023.db2.gz AYGFAXSZSPFHDH-IBGZPJMESA-N 1 0 527.509 4.854 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCc3ccccc3)C2)cc1OC ZINC000102526377 554952203 /nfs/dbraw/zinc/95/22/03/554952203.db2.gz YVVGSTRLSMMXEM-WUFINQPMSA-N 1 0 541.692 4.628 50 0 KJAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000102564926 554969734 /nfs/dbraw/zinc/96/97/34/554969734.db2.gz PKIUDYXAMWTJMK-UHFFFAOYSA-N 1 0 552.090 4.783 50 0 KJAARO Cn1cc(C(=O)N2CCN(CCOc3ccc(C[NH+]4CCC(Cc5ccccc5)CC4)cc3)CC2)c(=O)c2ccccc21 ZINC000102567249 554970066 /nfs/dbraw/zinc/97/00/66/554970066.db2.gz OXXGHEGNUCSDPL-UHFFFAOYSA-N 1 0 578.757 4.830 50 0 KJAARO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N23)cc1 ZINC000102575712 554971552 /nfs/dbraw/zinc/97/15/52/554971552.db2.gz OUKRHPXWNNILHM-BHDXBOSCSA-N 1 0 534.660 4.526 50 0 KJAARO COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N32)cc1 ZINC000102575716 554971513 /nfs/dbraw/zinc/97/15/13/554971513.db2.gz OUKRHPXWNNILHM-NYDCQLBNSA-N 1 0 534.660 4.526 50 0 KJAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)c(OC)c1C ZINC000102601642 1066223535 /nfs/dbraw/zinc/22/35/35/1066223535.db2.gz BLIQSFWYWJDIEI-BDYUSTAISA-N 1 0 540.079 4.896 50 0 KJAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCCCC4)n3c2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000102603464 554978176 /nfs/dbraw/zinc/97/81/76/554978176.db2.gz TVPSRKTTXZNONS-UHFFFAOYSA-N 1 0 559.523 4.677 50 0 KJAARO CSc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)cc1 ZINC000102605223 1066224469 /nfs/dbraw/zinc/22/44/69/1066224469.db2.gz IWEHTAXADMIOFD-RSXGOPAZSA-N 1 0 538.113 4.882 50 0 KJAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(F)c4)n3)c(=O)n12 ZINC000102605420 554978424 /nfs/dbraw/zinc/97/84/24/554978424.db2.gz IIQOHAHKDDQTNY-GOSISDBHSA-N 1 0 538.693 4.534 50 0 KJAARO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(F)c4)n3)c(=O)n12 ZINC000102605423 554978472 /nfs/dbraw/zinc/97/84/72/554978472.db2.gz IIQOHAHKDDQTNY-SFHVURJKSA-N 1 0 538.693 4.534 50 0 KJAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)n3c2=O)nn1-c1cc(F)ccc1F ZINC000102605539 554978449 /nfs/dbraw/zinc/97/84/49/554978449.db2.gz KEGBNGHFXBWJQH-UHFFFAOYSA-N 1 0 588.684 4.827 50 0 KJAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000102612945 554982311 /nfs/dbraw/zinc/98/23/11/554982311.db2.gz WZEQMXAMKNGBHA-VAWYXSNFSA-N 1 0 556.754 4.514 50 0 KJAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@H+](C)C3CCCC3)CC2)CC1 ZINC000102612952 554982346 /nfs/dbraw/zinc/98/23/46/554982346.db2.gz KSFPRLGNJCJXFI-OUKQBFOZSA-N 1 0 554.757 4.728 50 0 KJAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000102613018 554982251 /nfs/dbraw/zinc/98/22/51/554982251.db2.gz DVYLQTFUAZMZLQ-CCEZHUSRSA-N 1 0 542.746 4.633 50 0 KJAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000102613107 554982477 /nfs/dbraw/zinc/98/24/77/554982477.db2.gz VSAWZQSFTITJNU-MDZDMXLPSA-N 1 0 596.819 4.995 50 0 KJAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@H+](C)C3CCCCC3)CC2)CC1 ZINC000102613529 554983113 /nfs/dbraw/zinc/98/31/13/554983113.db2.gz ZZHJUAUXBHPBTJ-OUKQBFOZSA-N 1 0 572.747 4.949 50 0 KJAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000102613555 554983078 /nfs/dbraw/zinc/98/30/78/554983078.db2.gz ZKMXVNYUKQDOQY-DHZHZOJOSA-N 1 0 598.716 4.861 50 0 KJAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000102613560 554983071 /nfs/dbraw/zinc/98/30/71/554983071.db2.gz MSYYCGJFDKDBAO-ZHACJKMWSA-N 1 0 598.716 4.861 50 0 KJAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000102613584 554983372 /nfs/dbraw/zinc/98/33/72/554983372.db2.gz KGUYZFYXODVUPB-VAWYXSNFSA-N 1 0 552.672 4.928 50 0 KJAARO Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000102613704 554983339 /nfs/dbraw/zinc/98/33/39/554983339.db2.gz OGAPHKPUQIBHDM-ZHACJKMWSA-N 1 0 568.784 4.956 50 0 KJAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102615040 554984291 /nfs/dbraw/zinc/98/42/91/554984291.db2.gz LSEKUOQBZQTXRC-UHFFFAOYSA-N 1 0 583.564 4.973 50 0 KJAARO C[N@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccs3)CC2)c1)Cc1cccc2ccccc21 ZINC000102625629 1066224583 /nfs/dbraw/zinc/22/45/83/1066224583.db2.gz HNJKLWKXJYQCLS-UHFFFAOYSA-N 1 0 535.735 4.919 50 0 KJAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1C1Cc2ccccc2C1 ZINC000102631875 1066224206 /nfs/dbraw/zinc/22/42/06/1066224206.db2.gz VOHSOZUMYCXYTB-IUDBTDONSA-N 1 0 518.661 4.890 50 0 KJAARO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)NC[C@@H]1CCCO1 ZINC000102656665 554999246 /nfs/dbraw/zinc/99/92/46/554999246.db2.gz PSVSJCIBYULYLS-OWPQXHQJSA-N 1 0 558.689 4.794 50 0 KJAARO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)NC[C@H]1CCCO1 ZINC000102656668 554999208 /nfs/dbraw/zinc/99/92/08/554999208.db2.gz PSVSJCIBYULYLS-RFYMFKDESA-N 1 0 558.689 4.794 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1OC ZINC000102664077 555001104 /nfs/dbraw/zinc/00/11/04/555001104.db2.gz TUYREYQZMNZRIK-BJKOFHAPSA-N 1 0 558.654 4.760 50 0 KJAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc1 ZINC000102667288 1066224704 /nfs/dbraw/zinc/22/47/04/1066224704.db2.gz LZEHZVCGSOYDHY-UHFFFAOYSA-N 1 0 543.737 4.972 50 0 KJAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000102669545 555002394 /nfs/dbraw/zinc/00/23/94/555002394.db2.gz QEBRGKUXJSEWSI-IHAJHMTMSA-N 1 0 521.617 4.717 50 0 KJAARO C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCCc2nc3ccccc3n2C)C1 ZINC000102669570 1066225187 /nfs/dbraw/zinc/22/51/87/1066225187.db2.gz JAHSGGSBYQXSGP-JOCHJYFZSA-N 1 0 540.664 4.939 50 0 KJAARO C[C@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCCc2nc3ccccc3n2C)C1 ZINC000102669571 1066225470 /nfs/dbraw/zinc/22/54/70/1066225470.db2.gz JAHSGGSBYQXSGP-QFIPXVFZSA-N 1 0 540.664 4.939 50 0 KJAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3ccccc3)C2)cc1OC ZINC000102670075 555002366 /nfs/dbraw/zinc/00/23/66/555002366.db2.gz PWNYDWWVESZTAR-RRPNLBNLSA-N 1 0 527.665 4.586 50 0 KJAARO COc1cc2nc(N(C)C)c(CN(CC[NH+](C)C)C(=O)c3ccccc3C(F)(F)F)cc2c(OC)c1OC ZINC000102672287 555002890 /nfs/dbraw/zinc/00/28/90/555002890.db2.gz IRFYUBSYYBQUKD-UHFFFAOYSA-N 1 0 534.579 4.549 50 0 KJAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000102679001 555004828 /nfs/dbraw/zinc/00/48/28/555004828.db2.gz SFJVDJKWVJXRMO-IHAJHMTMSA-N 1 0 521.617 4.717 50 0 KJAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000102679237 555004712 /nfs/dbraw/zinc/00/47/12/555004712.db2.gz YOJXGGBJWVRPKT-SANMLTNESA-N 1 0 539.648 4.769 50 0 KJAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000102679240 555004694 /nfs/dbraw/zinc/00/46/94/555004694.db2.gz YOJXGGBJWVRPKT-AREMUKBSSA-N 1 0 539.648 4.769 50 0 KJAARO Cc1ccc(C(=O)N(CC[NH+]2CCCC2)CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)cc1 ZINC000102679304 555005115 /nfs/dbraw/zinc/00/51/15/555005115.db2.gz UTZWHAGATRHTIQ-MHZLTWQESA-N 1 0 535.685 4.939 50 0 KJAARO Cc1ccc(C(=O)N(CC[NH+]2CCCC2)CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)cc1 ZINC000102679306 555005087 /nfs/dbraw/zinc/00/50/87/555005087.db2.gz UTZWHAGATRHTIQ-HHHXNRCGSA-N 1 0 535.685 4.939 50 0 KJAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1ccccc1F)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000102679342 555005140 /nfs/dbraw/zinc/00/51/40/555005140.db2.gz HLFNTQQRULHIKN-SANMLTNESA-N 1 0 539.648 4.769 50 0 KJAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1ccccc1F)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000102679344 555005057 /nfs/dbraw/zinc/00/50/57/555005057.db2.gz HLFNTQQRULHIKN-AREMUKBSSA-N 1 0 539.648 4.769 50 0 KJAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000102679478 555005038 /nfs/dbraw/zinc/00/50/38/555005038.db2.gz TWZOECDUFZKQDT-SANMLTNESA-N 1 0 539.648 4.769 50 0 KJAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000102679480 555005096 /nfs/dbraw/zinc/00/50/96/555005096.db2.gz TWZOECDUFZKQDT-AREMUKBSSA-N 1 0 539.648 4.769 50 0 KJAARO O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O ZINC000102683084 1066225294 /nfs/dbraw/zinc/22/52/94/1066225294.db2.gz CMUXSRGYQZCLHJ-UHFFFAOYSA-N 1 0 568.621 4.931 50 0 KJAARO C[N@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102683119 1066225152 /nfs/dbraw/zinc/22/51/52/1066225152.db2.gz IDORAMKJPVDHKA-UHFFFAOYSA-N 1 0 553.672 4.784 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)c3c2)CC1 ZINC000102690100 555008076 /nfs/dbraw/zinc/00/80/76/555008076.db2.gz OGCMOEBWPBMICO-QHCPKHFHSA-N 1 0 549.741 4.569 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)c3c2)CC1 ZINC000102690104 555007930 /nfs/dbraw/zinc/00/79/30/555007930.db2.gz OGCMOEBWPBMICO-HSZRJFAPSA-N 1 0 549.741 4.569 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2cccc(OC)c2OC)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102690116 555007985 /nfs/dbraw/zinc/00/79/85/555007985.db2.gz IBTOQIMYMWFUKG-SQJMNOBHSA-N 1 0 549.634 4.689 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)c3c2)CC1 ZINC000102690141 555008036 /nfs/dbraw/zinc/00/80/36/555008036.db2.gz GJMKDNWQSFCKKB-PSWAGMNNSA-N 1 0 563.768 4.815 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)c3c2)CC1 ZINC000102690142 555007962 /nfs/dbraw/zinc/00/79/62/555007962.db2.gz GJMKDNWQSFCKKB-ZEQRLZLVSA-N 1 0 563.768 4.815 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)c3c2)CC1 ZINC000102690143 555008030 /nfs/dbraw/zinc/00/80/30/555008030.db2.gz GJMKDNWQSFCKKB-DNQXCXABSA-N 1 0 563.768 4.815 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)c3c2)CC1 ZINC000102690147 555007937 /nfs/dbraw/zinc/00/79/37/555007937.db2.gz LKMGJNCHFHNPQH-QHCPKHFHSA-N 1 0 549.741 4.569 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)c3c2)CC1 ZINC000102690150 555008074 /nfs/dbraw/zinc/00/80/74/555008074.db2.gz LKMGJNCHFHNPQH-HSZRJFAPSA-N 1 0 549.741 4.569 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)c3c2)CC1 ZINC000102690162 555007970 /nfs/dbraw/zinc/00/79/70/555007970.db2.gz ISXBRAQZHAZGDA-UHFFFAOYSA-N 1 0 626.827 4.655 50 0 KJAARO CC1CC[NH+](CCCNC(=O)CCC(=O)Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)CC1 ZINC000102696265 555011232 /nfs/dbraw/zinc/01/12/32/555011232.db2.gz BVKHFEFRMLKGKO-UHFFFAOYSA-N 1 0 561.502 4.636 50 0 KJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CN1Cc1cccc(Cl)c1 ZINC000102699420 1066225596 /nfs/dbraw/zinc/22/55/96/1066225596.db2.gz QPLWMTYRJGFBLK-KYJUHHDHSA-N 1 0 575.153 4.625 50 0 KJAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H]([NH2+]C3Cc4ccccc4C3)CN1Cc1cccc(Cl)c1)CC2 ZINC000102699715 1066226306 /nfs/dbraw/zinc/22/63/06/1066226306.db2.gz DTVASFDOQCJVFR-VMPREFPWSA-N 1 0 546.111 4.642 50 0 KJAARO CCOC(=O)N1CCN(c2nc3cc(OC)c(OC)cc3cc2C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000102704540 1066225984 /nfs/dbraw/zinc/22/59/84/1066225984.db2.gz BEICKGPPSFZMIU-UHFFFAOYSA-N 1 0 532.563 4.839 50 0 KJAARO COC(=O)CC[C@H]1C[N@H+](Cc2c(OC)ccc3ccccc32)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000102706636 555015051 /nfs/dbraw/zinc/01/50/51/555015051.db2.gz GDAKIWLZBHTKSJ-LBNVMWSVSA-N 1 0 531.697 4.823 50 0 KJAARO O=C(COc1ccc(-c2ncccn2)cc1C[N@H+]1CC=C(c2ccccc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000102706983 555015142 /nfs/dbraw/zinc/01/51/42/555015142.db2.gz HBCUPNOUSLGSPH-UHFFFAOYSA-N 1 0 534.616 4.857 50 0 KJAARO COc1ccccc1-c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000102708359 555015852 /nfs/dbraw/zinc/01/58/52/555015852.db2.gz MGNCEEAYWHPASV-VWLOTQADSA-N 1 0 587.740 4.532 50 0 KJAARO COc1ccccc1-c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000102708361 555015866 /nfs/dbraw/zinc/01/58/66/555015866.db2.gz MGNCEEAYWHPASV-RUZDIDTESA-N 1 0 587.740 4.532 50 0 KJAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1C1Cc2ccccc2C1 ZINC000102711098 1066227010 /nfs/dbraw/zinc/22/70/10/1066227010.db2.gz WGJMSXYPIPLGMB-DITALETJSA-N 1 0 532.688 4.677 50 0 KJAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)CN1C1Cc2ccccc2C1 ZINC000102713114 1066226746 /nfs/dbraw/zinc/22/67/46/1066226746.db2.gz KKAWRWQLOVQNNX-DITALETJSA-N 1 0 532.688 4.677 50 0 KJAARO O=C(Nc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccncc1 ZINC000102728626 555022878 /nfs/dbraw/zinc/02/28/78/555022878.db2.gz YCZLGTKDVNXXSH-UHSQPCAPSA-N 1 0 602.739 4.514 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3cc(C)cc(C)c3)C2)cc1OC ZINC000102737405 555026711 /nfs/dbraw/zinc/02/67/11/555026711.db2.gz XIDUNQRPGPFOBU-LOSJGSFVSA-N 1 0 533.644 4.853 50 0 KJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC([NH+]4CCCCC4)CC3)N2[C@H]1c1cccc(Cl)c1 ZINC000102743236 555033814 /nfs/dbraw/zinc/03/38/14/555033814.db2.gz OSSGVESYORQELH-VWLOTQADSA-N 1 0 529.106 4.955 50 0 KJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC([NH+]4CCCCC4)CC3)N2[C@@H]1c1cccc(Cl)c1 ZINC000102743239 555033817 /nfs/dbraw/zinc/03/38/17/555033817.db2.gz OSSGVESYORQELH-RUZDIDTESA-N 1 0 529.106 4.955 50 0 KJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC([NH+]4CCCCC4)CC3)N2[C@H]1c1ccc(Cl)cc1 ZINC000102743242 555033812 /nfs/dbraw/zinc/03/38/12/555033812.db2.gz UYJUJPCHILUPEB-VWLOTQADSA-N 1 0 529.106 4.955 50 0 KJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC([NH+]4CCCCC4)CC3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000102743244 555033834 /nfs/dbraw/zinc/03/38/34/555033834.db2.gz UYJUJPCHILUPEB-RUZDIDTESA-N 1 0 529.106 4.955 50 0 KJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C4CCCC4)CC3)N2[C@H]1c1ccc(Cl)cc1 ZINC000102743515 555034208 /nfs/dbraw/zinc/03/42/08/555034208.db2.gz DJCAMEQHRFDQAS-DEOSSOPVSA-N 1 0 515.079 4.565 50 0 KJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C4CCCC4)CC3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000102743517 555034249 /nfs/dbraw/zinc/03/42/49/555034249.db2.gz DJCAMEQHRFDQAS-XMMPIXPASA-N 1 0 515.079 4.565 50 0 KJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)N2[C@H]1c1ccsc1 ZINC000102745393 555037167 /nfs/dbraw/zinc/03/71/67/555037167.db2.gz JSUYYMJEKJXDSB-VWLOTQADSA-N 1 0 522.696 4.667 50 0 KJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)N2[C@@H]1c1ccsc1 ZINC000102745397 555037229 /nfs/dbraw/zinc/03/72/29/555037229.db2.gz JSUYYMJEKJXDSB-RUZDIDTESA-N 1 0 522.696 4.667 50 0 KJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)N2[C@H]1c1cccc(F)c1 ZINC000102745401 555037235 /nfs/dbraw/zinc/03/72/35/555037235.db2.gz ZXXXOBZCKPGMND-MHZLTWQESA-N 1 0 534.657 4.745 50 0 KJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)N2[C@@H]1c1cccc(F)c1 ZINC000102745403 555037173 /nfs/dbraw/zinc/03/71/73/555037173.db2.gz ZXXXOBZCKPGMND-HHHXNRCGSA-N 1 0 534.657 4.745 50 0 KJAARO CCC1=C(C(=O)OC)[C@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102761354 555052640 /nfs/dbraw/zinc/05/26/40/555052640.db2.gz SOEWJCSFTVWSQG-SANMLTNESA-N 1 0 520.655 4.685 50 0 KJAARO CCC1=C(C(=O)OC)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102761357 555052731 /nfs/dbraw/zinc/05/27/31/555052731.db2.gz SOEWJCSFTVWSQG-AREMUKBSSA-N 1 0 520.655 4.685 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCCC3)N2[C@@H]1c1ccc(OC)cc1 ZINC000102763001 555053779 /nfs/dbraw/zinc/05/37/79/555053779.db2.gz LCZMZMPLOFMZAQ-MUUNZHRXSA-N 1 0 546.693 4.573 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCCC3)N2[C@H]1c1ccc(OC)cc1 ZINC000102763002 555053760 /nfs/dbraw/zinc/05/37/60/555053760.db2.gz LCZMZMPLOFMZAQ-NDEPHWFRSA-N 1 0 546.693 4.573 50 0 KJAARO C[C@H](C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000102768262 555055810 /nfs/dbraw/zinc/05/58/10/555055810.db2.gz VJOAJAPWTQKWTR-PZGXJGMVSA-N 1 0 564.702 4.937 50 0 KJAARO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000102768265 555055858 /nfs/dbraw/zinc/05/58/58/555055858.db2.gz VJOAJAPWTQKWTR-KPURRNSFSA-N 1 0 564.702 4.937 50 0 KJAARO C[C@H](C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000102768267 555056119 /nfs/dbraw/zinc/05/61/19/555056119.db2.gz VJOAJAPWTQKWTR-ZTOMLWHTSA-N 1 0 564.702 4.937 50 0 KJAARO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000102768268 555056199 /nfs/dbraw/zinc/05/61/99/555056199.db2.gz VJOAJAPWTQKWTR-MNNSJKJDSA-N 1 0 564.702 4.937 50 0 KJAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000102768594 555056349 /nfs/dbraw/zinc/05/63/49/555056349.db2.gz NIKRAHIYFOSHMM-XQNSMLJCSA-N 1 0 532.504 4.786 50 0 KJAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3CCCC3)C2=O)cc1Br ZINC000102769232 555056737 /nfs/dbraw/zinc/05/67/37/555056737.db2.gz GIGVAMAXUVWIAD-XQNSMLJCSA-N 1 0 530.488 4.540 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000102769311 555056924 /nfs/dbraw/zinc/05/69/24/555056924.db2.gz GFFJEXLVMBCJMH-UEIZDATPSA-N 1 0 530.488 4.538 50 0 KJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000102769313 555056916 /nfs/dbraw/zinc/05/69/16/555056916.db2.gz GFFJEXLVMBCJMH-TTXZLZEXSA-N 1 0 530.488 4.538 50 0 KJAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102769471 555056967 /nfs/dbraw/zinc/05/69/67/555056967.db2.gz QEBRGKUXJSEWSI-XGRPBWIBSA-N 1 0 521.617 4.717 50 0 KJAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102770106 555057475 /nfs/dbraw/zinc/05/74/75/555057475.db2.gz SFJVDJKWVJXRMO-XGRPBWIBSA-N 1 0 521.617 4.717 50 0 KJAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccncc4)cc(C(=O)NCC[N@H+](C)Cc4ccccc4)c3c2)CC1 ZINC000102777001 555063117 /nfs/dbraw/zinc/06/31/17/555063117.db2.gz XJEVFCRPWLPRMU-UHFFFAOYSA-N 1 0 557.720 4.579 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3cccs3)C2)cc1OC ZINC000102781138 555066016 /nfs/dbraw/zinc/06/60/16/555066016.db2.gz TVSSIPCWDRFGOP-BJKOFHAPSA-N 1 0 533.694 4.647 50 0 KJAARO CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC[N@H+](CCCC)Cc3ccccc3)c2c1 ZINC000102781471 555066342 /nfs/dbraw/zinc/06/63/42/555066342.db2.gz XSWJHJOHORGOIT-UHFFFAOYSA-N 1 0 554.757 4.761 50 0 KJAARO CCCC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)Cc1ccccc1 ZINC000102784179 555066924 /nfs/dbraw/zinc/06/69/24/555066924.db2.gz FYKCNXKQRSUHBK-UHFFFAOYSA-N 1 0 552.741 4.515 50 0 KJAARO CCCC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21)Cc1ccccc1 ZINC000102784364 555067188 /nfs/dbraw/zinc/06/71/88/555067188.db2.gz MQYCNGIOVPQSAK-QHCPKHFHSA-N 1 0 552.741 4.513 50 0 KJAARO C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C\c2ccccc2)S3)CC1 ZINC000102791995 555069275 /nfs/dbraw/zinc/06/92/75/555069275.db2.gz QCCYBVZQVNMCCK-ZTKZIYFRSA-N 1 0 544.696 4.873 50 0 KJAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000102830598 555078434 /nfs/dbraw/zinc/07/84/34/555078434.db2.gz WZDMLXZRJHHCEE-UHFFFAOYSA-N 1 0 545.149 4.702 50 0 KJAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000102830602 555078534 /nfs/dbraw/zinc/07/85/34/555078534.db2.gz VKFCAOGCMJLCCF-UHFFFAOYSA-N 1 0 555.144 4.816 50 0 KJAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000102830604 555078480 /nfs/dbraw/zinc/07/84/80/555078480.db2.gz IASBQUVAXKIVLG-UHFFFAOYSA-N 1 0 545.149 4.702 50 0 KJAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)c1ccccc1Br ZINC000102832061 555079143 /nfs/dbraw/zinc/07/91/43/555079143.db2.gz RFDZJQZTIVKEMC-UHFFFAOYSA-N 1 0 558.496 4.513 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)c3ccccc3Br)c(C)nn2-c2cccc(F)c2)CC1 ZINC000102832206 555079122 /nfs/dbraw/zinc/07/91/22/555079122.db2.gz LEPKFUCLLVDZIV-UHFFFAOYSA-N 1 0 558.496 4.513 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)c3cccc(Br)c3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000102832217 555079148 /nfs/dbraw/zinc/07/91/48/555079148.db2.gz HJSVJYPBSKZKBY-UHFFFAOYSA-N 1 0 558.496 4.513 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)c3ccccc3Br)c(C)nn2-c2ccccc2)CC1 ZINC000102832652 555079337 /nfs/dbraw/zinc/07/93/37/555079337.db2.gz HLBHSXSXDOZILE-UHFFFAOYSA-N 1 0 554.533 4.764 50 0 KJAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)c3cccc(Br)c3)c(C)nn2-c2ccccc2)CC1 ZINC000102832688 555079265 /nfs/dbraw/zinc/07/92/65/555079265.db2.gz DWIGNLBVTREWID-UHFFFAOYSA-N 1 0 554.533 4.764 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3cccc(F)c3)C2)cc1OC ZINC000102834257 555079518 /nfs/dbraw/zinc/07/95/18/555079518.db2.gz DIEYFUHIJYAMKI-IZZNHLLZSA-N 1 0 545.655 4.725 50 0 KJAARO CC[C@@H](C)[C@H]1NC2(CCN(C(=S)Nc3ccc(OC)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000102839428 555080751 /nfs/dbraw/zinc/08/07/51/555080751.db2.gz QDDDAXGTAYFWPI-QDPGVEIFSA-N 1 0 549.785 4.695 50 0 KJAARO CC[C@H](C)[C@H]1NC2(CCN(C(=S)Nc3ccc(OC)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000102839431 555080744 /nfs/dbraw/zinc/08/07/44/555080744.db2.gz QDDDAXGTAYFWPI-NEKDWFFYSA-N 1 0 549.785 4.695 50 0 KJAARO CC[C@@H](C)[C@@H]1NC2(CCN(C(=S)Nc3ccc(OC)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000102839434 555080651 /nfs/dbraw/zinc/08/06/51/555080651.db2.gz QDDDAXGTAYFWPI-LXFBAYGMSA-N 1 0 549.785 4.695 50 0 KJAARO CC[C@H](C)[C@@H]1NC2(CCN(C(=S)Nc3ccc(OC)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000102839436 555080692 /nfs/dbraw/zinc/08/06/92/555080692.db2.gz QDDDAXGTAYFWPI-FIPFOOKPSA-N 1 0 549.785 4.695 50 0 KJAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102843918 555084167 /nfs/dbraw/zinc/08/41/67/555084167.db2.gz VXCBPNYFJLUKMT-AREMUKBSSA-N 1 0 556.501 4.972 50 0 KJAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102843920 555084181 /nfs/dbraw/zinc/08/41/81/555084181.db2.gz VXCBPNYFJLUKMT-SANMLTNESA-N 1 0 556.501 4.972 50 0 KJAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000102860841 555091301 /nfs/dbraw/zinc/09/13/01/555091301.db2.gz JRPIQLAVYPYECV-RRPNLBNLSA-N 1 0 536.676 4.798 50 0 KJAARO O=C(COc1c(I)cc(Cl)c2cccnc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000102884843 555114928 /nfs/dbraw/zinc/11/49/28/555114928.db2.gz ODBOHIMPOUFTKW-UHFFFAOYSA-N 1 0 535.813 4.784 50 0 KJAARO COc1ccc(N2C(=O)c3ccccc3/C(=C\N[C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2=O)cc1OC ZINC000102898783 1066512107 /nfs/dbraw/zinc/51/21/07/1066512107.db2.gz IDWFYIDJZVXGFD-GPQHKOMYSA-N 1 0 539.632 4.810 50 0 KJAARO COc1ccc(N2C(=O)c3ccccc3/C(=C\N[C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2=O)cc1OC ZINC000102898787 1066512151 /nfs/dbraw/zinc/51/21/51/1066512151.db2.gz IDWFYIDJZVXGFD-ZQBMCQTHSA-N 1 0 539.632 4.810 50 0 KJAARO Cc1cc(-c2c(C)nc3scc(CC(=O)N(CC[NH+](C)C)Cc4ccccc4)n3c2=O)nn1-c1cccc(C)c1C ZINC000102902472 555140427 /nfs/dbraw/zinc/14/04/27/555140427.db2.gz YJNSSTDTDSXRTK-UHFFFAOYSA-N 1 0 568.747 4.975 50 0 KJAARO Cc1cc(-c2c(C)nc3scc(CC(=O)N(CC[NH+](C)C)Cc4ccccc4)n3c2=O)nn1-c1cc(C)ccc1C ZINC000102902523 555140836 /nfs/dbraw/zinc/14/08/36/555140836.db2.gz XGLWHDNPCSBEMJ-UHFFFAOYSA-N 1 0 568.747 4.975 50 0 KJAARO CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC[NH2+]CCO)n2-c2c(C(C)C)cccc2C(C)C)c1 ZINC000102922736 555147669 /nfs/dbraw/zinc/14/76/69/555147669.db2.gz KHQWZSKWXFHJRH-UHFFFAOYSA-N 1 0 559.802 4.886 50 0 KJAARO O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000102934694 555161794 /nfs/dbraw/zinc/16/17/94/555161794.db2.gz AOXIYQWRTVRTLM-UHFFFAOYSA-N 1 0 554.112 4.672 50 0 KJAARO CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCC(C)(C)C[NH+](C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102934859 555161995 /nfs/dbraw/zinc/16/19/95/555161995.db2.gz UEAXQQIFDNSLHI-MVSFAKPFSA-N 1 0 595.744 4.587 50 0 KJAARO CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCC(C)(C)C[NH+](C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102934862 555161923 /nfs/dbraw/zinc/16/19/23/555161923.db2.gz UEAXQQIFDNSLHI-IZEXYCQBSA-N 1 0 595.744 4.587 50 0 KJAARO CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCC(C)(C)C[NH+](C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102934865 555162045 /nfs/dbraw/zinc/16/20/45/555162045.db2.gz UEAXQQIFDNSLHI-GRKNLSHJSA-N 1 0 595.744 4.587 50 0 KJAARO CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCC(C)(C)C[NH+](C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102934867 555161926 /nfs/dbraw/zinc/16/19/26/555161926.db2.gz UEAXQQIFDNSLHI-QCENPCRXSA-N 1 0 595.744 4.587 50 0 KJAARO CCOC(=O)C1=C(CN2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000102936175 555163664 /nfs/dbraw/zinc/16/36/64/555163664.db2.gz LLSBSQNZWKGKKU-VWLOTQADSA-N 1 0 573.616 4.849 50 0 KJAARO CCOC(=O)C1=C(CN2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000102936180 555163676 /nfs/dbraw/zinc/16/36/76/555163676.db2.gz LLSBSQNZWKGKKU-RUZDIDTESA-N 1 0 573.616 4.849 50 0 KJAARO CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)N3CCC([NH+]4CCCCC4)CC3)=CSC2=N1 ZINC000102936572 555164235 /nfs/dbraw/zinc/16/42/35/555164235.db2.gz MTKLCENKEXKXEF-SANMLTNESA-N 1 0 508.688 4.692 50 0 KJAARO CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)N3CCC([NH+]4CCCCC4)CC3)=CSC2=N1 ZINC000102936576 555164254 /nfs/dbraw/zinc/16/42/54/555164254.db2.gz MTKLCENKEXKXEF-AREMUKBSSA-N 1 0 508.688 4.692 50 0 KJAARO CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2C)N2C(CC(=O)N3CC[NH+](C4CCCC4)CC3)=CSC2=N1 ZINC000102936618 555164407 /nfs/dbraw/zinc/16/44/07/555164407.db2.gz MINFLYPQCPJIOH-MHZLTWQESA-N 1 0 522.715 4.918 50 0 KJAARO CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2C)N2C(CC(=O)N3CC[NH+](C4CCCC4)CC3)=CSC2=N1 ZINC000102936620 555164378 /nfs/dbraw/zinc/16/43/78/555164378.db2.gz MINFLYPQCPJIOH-HHHXNRCGSA-N 1 0 522.715 4.918 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCCC3)N2[C@@H]1c1ccccc1 ZINC000102940304 555168811 /nfs/dbraw/zinc/16/88/11/555168811.db2.gz XSSYWKXMLBUKKO-HHHXNRCGSA-N 1 0 516.667 4.564 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+]3CCCC3)N2[C@H]1c1ccccc1 ZINC000102940306 555168779 /nfs/dbraw/zinc/16/87/79/555168779.db2.gz XSSYWKXMLBUKKO-MHZLTWQESA-N 1 0 516.667 4.564 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1cc(C)ccc1C ZINC000102940349 555168986 /nfs/dbraw/zinc/16/89/86/555168986.db2.gz MPSYVXRIFKDTAW-HHHXNRCGSA-N 1 0 518.683 4.647 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1cc(C)ccc1C ZINC000102940352 555168980 /nfs/dbraw/zinc/16/89/80/555168980.db2.gz MPSYVXRIFKDTAW-MHZLTWQESA-N 1 0 518.683 4.647 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1ccc(C)cc1C ZINC000102940367 555168922 /nfs/dbraw/zinc/16/89/22/555168922.db2.gz UDPLKKFUZMGBBH-HHHXNRCGSA-N 1 0 518.683 4.647 50 0 KJAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1ccc(C)cc1C ZINC000102940369 555168928 /nfs/dbraw/zinc/16/89/28/555168928.db2.gz UDPLKKFUZMGBBH-MHZLTWQESA-N 1 0 518.683 4.647 50 0 KJAARO Cc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c(C)c1 ZINC000102940944 555169933 /nfs/dbraw/zinc/16/99/33/555169933.db2.gz OTAKTMZYPBHGFD-HHHXNRCGSA-N 1 0 518.683 4.690 50 0 KJAARO Cc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c(C)c1 ZINC000102940946 555169910 /nfs/dbraw/zinc/16/99/10/555169910.db2.gz OTAKTMZYPBHGFD-MHZLTWQESA-N 1 0 518.683 4.690 50 0 KJAARO Cc1ccc(C)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c1 ZINC000102941031 555169880 /nfs/dbraw/zinc/16/98/80/555169880.db2.gz KULWIWHHSPSXSQ-HHHXNRCGSA-N 1 0 518.683 4.690 50 0 KJAARO Cc1ccc(C)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c1 ZINC000102941033 555169957 /nfs/dbraw/zinc/16/99/57/555169957.db2.gz KULWIWHHSPSXSQ-MHZLTWQESA-N 1 0 518.683 4.690 50 0 KJAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000102941636 555170070 /nfs/dbraw/zinc/17/00/70/555170070.db2.gz YKBKMZGTVSOQOD-NGSHPTGOSA-N 1 0 517.507 4.855 50 0 KJAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000102941639 555170052 /nfs/dbraw/zinc/17/00/52/555170052.db2.gz YKBKMZGTVSOQOD-VPBXCIAMSA-N 1 0 517.507 4.855 50 0 KJAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000102958019 555174431 /nfs/dbraw/zinc/17/44/31/555174431.db2.gz OMFBMZDQFMIRGG-UHFFFAOYSA-N 1 0 562.614 4.830 50 0 KJAARO CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3ccc(OC)c(OC)c3)C2=O)sc2c1CC[N@H+](CC)C2 ZINC000103004186 1066372555 /nfs/dbraw/zinc/37/25/55/1066372555.db2.gz LASVVYBORPOMMZ-JWGURIENSA-N 1 0 561.660 4.960 50 0 KJAARO COc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3N3CC[NH+](C)CC3)C2=O)cc1OC ZINC000103004554 1066372934 /nfs/dbraw/zinc/37/29/34/1066372934.db2.gz BHLNNCXUXPROQQ-PTGBLXJZSA-N 1 0 533.028 4.749 50 0 KJAARO O=S(=O)(/C=C\c1ccccc1)N1CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000103006573 1066373238 /nfs/dbraw/zinc/37/32/38/1066373238.db2.gz XSLVKCOFGLTCGH-MOSHPQCFSA-N 1 0 537.755 4.679 50 0 KJAARO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103007785 555205006 /nfs/dbraw/zinc/20/50/06/555205006.db2.gz YXZWBXBODBFDQF-UHFFFAOYSA-N 1 0 558.723 4.666 50 0 KJAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000103007787 555205034 /nfs/dbraw/zinc/20/50/34/555205034.db2.gz IPHFHGAWDKYVAR-UHFFFAOYSA-N 1 0 546.737 4.597 50 0 KJAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000103008223 555205048 /nfs/dbraw/zinc/20/50/48/555205048.db2.gz DZHLJYMOQCOYLT-XRLCUDTISA-N 1 0 532.065 4.613 50 0 KJAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000103008235 555205075 /nfs/dbraw/zinc/20/50/75/555205075.db2.gz USOOSUCQAHQJJY-ZWBDOSIPSA-N 1 0 501.586 4.770 50 0 KJAARO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000103013275 555207616 /nfs/dbraw/zinc/20/76/16/555207616.db2.gz SIZOWOMSYOWCDN-NUULZMKSSA-N 1 0 505.549 4.519 50 0 KJAARO O=C1[C@@H]2[C@H](Cc3ccccc3)[NH2+][C@]3(c4ccccc4N(Cc4ccc(F)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000103013373 555207681 /nfs/dbraw/zinc/20/76/81/555207681.db2.gz QNNLWPJUJVOMJH-XGFBUNCHSA-N 1 0 545.614 4.584 50 0 KJAARO O=C1[C@@H]2[C@H](Cc3ccccc3)[NH2+][C@@]3(c4ccccc4N(Cc4ccc(F)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000103013375 555207646 /nfs/dbraw/zinc/20/76/46/555207646.db2.gz QNNLWPJUJVOMJH-HFWHKAEWSA-N 1 0 545.614 4.584 50 0 KJAARO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CC[NH+](CCc3ccccc3)CC1)nc2-c1ccc2c(c1)OCO2 ZINC000103016450 555209633 /nfs/dbraw/zinc/20/96/33/555209633.db2.gz MVRHDTZXMUWDDF-UHFFFAOYSA-N 1 0 554.054 4.812 50 0 KJAARO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCC([NH+]3CCCCC3)CC1)nc2-c1ccc2c(c1)OCO2 ZINC000103016491 555209660 /nfs/dbraw/zinc/20/96/60/555209660.db2.gz XBVKJTSZACDOPU-UHFFFAOYSA-N 1 0 532.048 4.902 50 0 KJAARO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000103017915 555210439 /nfs/dbraw/zinc/21/04/39/555210439.db2.gz BSLNTCMTDKFTLK-WGTRGBAJSA-N 1 0 506.389 4.533 50 0 KJAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000103017921 555210379 /nfs/dbraw/zinc/21/03/79/555210379.db2.gz SBGUJUZVKRHORC-XRLCUDTISA-N 1 0 550.442 4.932 50 0 KJAARO COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CC[NH+](Cc4cc(OC)cc(OC)c4)CC3)CC2)c1 ZINC000103023295 555214181 /nfs/dbraw/zinc/21/41/81/555214181.db2.gz KWBGMVZWCPQICE-UHFFFAOYSA-N 1 0 544.696 4.758 50 0 KJAARO O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000103030062 555218525 /nfs/dbraw/zinc/21/85/25/555218525.db2.gz XPHWSLMTNITVDN-JLMYGFKKSA-N 1 0 531.534 4.731 50 0 KJAARO O=C1[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000103030065 555218512 /nfs/dbraw/zinc/21/85/12/555218512.db2.gz XPHWSLMTNITVDN-RTAAPDIRSA-N 1 0 531.534 4.731 50 0 KJAARO O=C(COc1ccc(Cl)cc1)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000103031451 555219388 /nfs/dbraw/zinc/21/93/88/555219388.db2.gz JPGHHZCOOQUOBY-UHFFFAOYSA-N 1 0 553.147 4.985 50 0 KJAARO COc1ccccc1NC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000103040061 555224640 /nfs/dbraw/zinc/22/46/40/555224640.db2.gz WWYLSICYVKFRKJ-NGOKVRLYSA-N 1 0 536.673 4.998 50 0 KJAARO COc1ccccc1NC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000103040063 555224587 /nfs/dbraw/zinc/22/45/87/555224587.db2.gz WWYLSICYVKFRKJ-MMTVBGGISA-N 1 0 536.673 4.998 50 0 KJAARO CCN1C2=C(C(=O)N([C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(C)C)C2)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000103059472 555239658 /nfs/dbraw/zinc/23/96/58/555239658.db2.gz PVYSGYQJEAEBQM-NSOVKSMOSA-N 1 0 597.682 4.693 50 0 KJAARO CCN1C2=C(C(=O)N([C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(C)C)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000103059474 555239654 /nfs/dbraw/zinc/23/96/54/555239654.db2.gz PVYSGYQJEAEBQM-IZLXSDGUSA-N 1 0 597.682 4.693 50 0 KJAARO CCN1C2=C(C(=O)N([C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(C)C)C2)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000103059476 555239670 /nfs/dbraw/zinc/23/96/70/555239670.db2.gz PVYSGYQJEAEBQM-WUFINQPMSA-N 1 0 597.682 4.693 50 0 KJAARO CCN1C2=C(C(=O)N([C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(C)C)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000103059478 555239664 /nfs/dbraw/zinc/23/96/64/555239664.db2.gz PVYSGYQJEAEBQM-VSGBNLITSA-N 1 0 597.682 4.693 50 0 KJAARO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103061662 555242807 /nfs/dbraw/zinc/24/28/07/555242807.db2.gz AFEVTPWGVDUURZ-AOYPEHQESA-N 1 0 529.006 4.976 50 0 KJAARO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103061664 555242870 /nfs/dbraw/zinc/24/28/70/555242870.db2.gz AFEVTPWGVDUURZ-AZGAKELHSA-N 1 0 529.006 4.976 50 0 KJAARO Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)NCC[NH+](C)C)cs4)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000103062635 555243595 /nfs/dbraw/zinc/24/35/95/555243595.db2.gz DDQMZNGGVBHULX-GDLZYMKVSA-N 1 0 546.737 4.986 50 0 KJAARO Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NCC[NH+](C)C)cs4)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000103062640 555243808 /nfs/dbraw/zinc/24/38/08/555243808.db2.gz DDQMZNGGVBHULX-LJAQVGFWSA-N 1 0 546.737 4.986 50 0 KJAARO COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CC[NH+](Cc4cccc(OC)c4OC)CC3)CC2)c1 ZINC000103121598 555290655 /nfs/dbraw/zinc/29/06/55/555290655.db2.gz SBTMFSBLQQYDJA-UHFFFAOYSA-N 1 0 544.696 4.758 50 0 KJAARO COc1cc(CN(C)C(=O)c2cc(N3CC[NH+](Cc4ccccc4)CC3)nc3ccccc32)cc(OC)c1OC ZINC000103124272 555292080 /nfs/dbraw/zinc/29/20/80/555292080.db2.gz CDKMFPIXZHKRNZ-UHFFFAOYSA-N 1 0 540.664 4.855 50 0 KJAARO C[NH+](C)CCNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000103124849 555292787 /nfs/dbraw/zinc/29/27/87/555292787.db2.gz IQPBHLJCSVGNOZ-HLPJKERBSA-N 1 0 568.608 4.677 50 0 KJAARO C[NH+](C)CCNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000103124851 555292800 /nfs/dbraw/zinc/29/28/00/555292800.db2.gz IQPBHLJCSVGNOZ-YKKMPQLRSA-N 1 0 568.608 4.677 50 0 KJAARO CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000103150380 555316215 /nfs/dbraw/zinc/31/62/15/555316215.db2.gz VVDLMUBGQIXERD-VBTAUBHQSA-N 1 0 605.783 4.878 50 0 KJAARO CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000103150381 555316422 /nfs/dbraw/zinc/31/64/22/555316422.db2.gz VVDLMUBGQIXERD-AFPLUKJUSA-N 1 0 605.783 4.878 50 0 KJAARO CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000103150383 555316385 /nfs/dbraw/zinc/31/63/85/555316385.db2.gz VVDLMUBGQIXERD-FJQKOURKSA-N 1 0 605.783 4.878 50 0 KJAARO CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000103150385 555316459 /nfs/dbraw/zinc/31/64/59/555316459.db2.gz VVDLMUBGQIXERD-QIKUIUABSA-N 1 0 605.783 4.878 50 0 KJAARO COc1cccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000103179374 555328477 /nfs/dbraw/zinc/32/84/77/555328477.db2.gz UJHHEFAJFCOLEM-NGOKVRLYSA-N 1 0 536.673 4.998 50 0 KJAARO COc1cccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000103179378 555328503 /nfs/dbraw/zinc/32/85/03/555328503.db2.gz UJHHEFAJFCOLEM-MMTVBGGISA-N 1 0 536.673 4.998 50 0 KJAARO CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000103201619 555337537 /nfs/dbraw/zinc/33/75/37/555337537.db2.gz URYMIFZCDGQTHG-RUZDIDTESA-N 1 0 557.613 4.884 50 0 KJAARO CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C(=O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000103201622 555337533 /nfs/dbraw/zinc/33/75/33/555337533.db2.gz URYMIFZCDGQTHG-VWLOTQADSA-N 1 0 557.613 4.884 50 0 KJAARO COc1cc(OC)cc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N(CC[NH+](C)C)Cc3ccccc3)CC2)c1 ZINC000103219735 555340826 /nfs/dbraw/zinc/34/08/26/555340826.db2.gz XTOIIMIYSYIWKN-UHFFFAOYSA-N 1 0 544.696 4.631 50 0 KJAARO COc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccc(OC)cc3)cn2-c2ccc(C)cc2)cc1 ZINC000103281553 555351649 /nfs/dbraw/zinc/35/16/49/555351649.db2.gz PWRQSERJVURNAX-UHFFFAOYSA-N 1 0 541.652 4.507 50 0 KJAARO CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000103283700 555352122 /nfs/dbraw/zinc/35/21/22/555352122.db2.gz YKTWKKOKCQCMFZ-MUUNZHRXSA-N 1 0 547.725 4.990 50 0 KJAARO CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000103283703 555352085 /nfs/dbraw/zinc/35/20/85/555352085.db2.gz YKTWKKOKCQCMFZ-NDEPHWFRSA-N 1 0 547.725 4.990 50 0 KJAARO COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000103286827 555353017 /nfs/dbraw/zinc/35/30/17/555353017.db2.gz BCBIACXSEXHULG-PMERELPUSA-N 1 0 573.694 4.534 50 0 KJAARO COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000103286830 555352951 /nfs/dbraw/zinc/35/29/51/555352951.db2.gz BCBIACXSEXHULG-SSEXGKCCSA-N 1 0 573.694 4.534 50 0 KJAARO COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc(F)cc2F)cc1 ZINC000103288501 555353908 /nfs/dbraw/zinc/35/39/08/555353908.db2.gz ILLRNVJCKCZVTI-PMERELPUSA-N 1 0 591.684 4.673 50 0 KJAARO COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc(F)cc2F)cc1 ZINC000103288504 555354152 /nfs/dbraw/zinc/35/41/52/555354152.db2.gz ILLRNVJCKCZVTI-SSEXGKCCSA-N 1 0 591.684 4.673 50 0 KJAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)c1ccco1 ZINC000103320931 555358686 /nfs/dbraw/zinc/35/86/86/555358686.db2.gz QQVFONMIMXWVJW-UHFFFAOYSA-N 1 0 566.706 4.536 50 0 KJAARO COc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c(=O)c2Nc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000103325281 555359029 /nfs/dbraw/zinc/35/90/29/555359029.db2.gz GSWNAUZXTAVAPP-UHFFFAOYSA-N 1 0 534.016 4.722 50 0 KJAARO COc1ccc(CN(CC[NH+](C)C)C(=O)NC(C)(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103365956 555365818 /nfs/dbraw/zinc/36/58/18/555365818.db2.gz JEMCVTAFPWQMND-UHFFFAOYSA-N 1 0 532.490 4.641 50 0 KJAARO CCCCOc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](C)CC2)cc1 ZINC000103368657 555366147 /nfs/dbraw/zinc/36/61/47/555366147.db2.gz CRQVXZUQNRUHJT-UHFFFAOYSA-N 1 0 551.707 4.929 50 0 KJAARO CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](CC)CC4)cc(C(C)(C)C)n3)cc2)CC1 ZINC000103406905 555392968 /nfs/dbraw/zinc/39/29/68/555392968.db2.gz GEMVFLNUBAQVRK-UHFFFAOYSA-N 1 0 553.773 4.624 50 0 KJAARO COc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000103426069 555407069 /nfs/dbraw/zinc/40/70/69/555407069.db2.gz GZFQPKIKNGETIV-UHFFFAOYSA-N 1 0 536.025 4.851 50 0 KJAARO Cc1ccsc1[C@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000103427618 555408948 /nfs/dbraw/zinc/40/89/48/555408948.db2.gz IUESPZBNUZWPJN-NDEPHWFRSA-N 1 0 563.724 4.895 50 0 KJAARO Cc1ccsc1[C@@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000103427621 555409295 /nfs/dbraw/zinc/40/92/95/555409295.db2.gz IUESPZBNUZWPJN-MUUNZHRXSA-N 1 0 563.724 4.895 50 0 KJAARO COc1ccc(CN(CC[NH+](C)C)C(=O)c2ccco2)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103432616 555415167 /nfs/dbraw/zinc/41/51/67/555415167.db2.gz GCIWNOYSQXKPLZ-UHFFFAOYSA-N 1 0 527.426 4.567 50 0 KJAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)cc1 ZINC000103520662 555426215 /nfs/dbraw/zinc/42/62/15/555426215.db2.gz YWRRMKCECVYWLV-PXFJVXAFSA-N 1 0 553.018 4.500 50 0 KJAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)cc1 ZINC000103520664 555426218 /nfs/dbraw/zinc/42/62/18/555426218.db2.gz YWRRMKCECVYWLV-BCVXLEMTSA-N 1 0 553.018 4.500 50 0 KJAARO COc1cc(NC(=O)C(C)(C)N(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000103578539 555450951 /nfs/dbraw/zinc/45/09/51/555450951.db2.gz NNEKNKRPIKOYEZ-KMRXNPHXSA-N 1 0 553.700 4.845 50 0 KJAARO COc1cc(NC(=O)C(C)(C)N(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000103578543 555450987 /nfs/dbraw/zinc/45/09/87/555450987.db2.gz NNEKNKRPIKOYEZ-PIKZIKFNSA-N 1 0 553.700 4.845 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000103579837 555451241 /nfs/dbraw/zinc/45/12/41/555451241.db2.gz GUOUPJRUUYCXRS-VMPREFPWSA-N 1 0 517.645 4.781 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000103579844 555451286 /nfs/dbraw/zinc/45/12/86/555451286.db2.gz GUOUPJRUUYCXRS-WDYNHAJCSA-N 1 0 517.645 4.781 50 0 KJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000103581885 555451197 /nfs/dbraw/zinc/45/11/97/555451197.db2.gz WYPUEWBSZXVSLB-QLODZENZSA-N 1 0 505.446 4.960 50 0 KJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000103581891 555451209 /nfs/dbraw/zinc/45/12/09/555451209.db2.gz WYPUEWBSZXVSLB-BFIDETRKSA-N 1 0 505.446 4.960 50 0 KJAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000103582318 555451533 /nfs/dbraw/zinc/45/15/33/555451533.db2.gz CQVFIZJAOGPEQN-QUGAMOGWSA-N 1 0 529.479 4.501 50 0 KJAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)C1 ZINC000103582327 555451549 /nfs/dbraw/zinc/45/15/49/555451549.db2.gz FXNCDJMGUBLBPL-FYSMJZIKSA-N 1 0 535.870 4.538 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1)Cc1ccccc1 ZINC000103726255 555465322 /nfs/dbraw/zinc/46/53/22/555465322.db2.gz KLEZJCGVMVVXLN-SVBPBHIXSA-N 1 0 505.684 4.704 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1)Cc1ccccc1 ZINC000103726258 555465344 /nfs/dbraw/zinc/46/53/44/555465344.db2.gz KLEZJCGVMVVXLN-SXOMAYOGSA-N 1 0 505.684 4.704 50 0 KJAARO COc1ccc(-n2cc(C(=O)NCCC[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)c3ccccc3c2=O)cc1 ZINC000103727818 555465572 /nfs/dbraw/zinc/46/55/72/555465572.db2.gz XOOQGUSBSCKXBM-XMMPIXPASA-N 1 0 524.665 4.638 50 0 KJAARO COc1cccc(-n2cc(C(=O)NCCC[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)c3ccccc3c2=O)c1 ZINC000103728023 555465541 /nfs/dbraw/zinc/46/55/41/555465541.db2.gz SNWNFXZFEQFTQF-XMMPIXPASA-N 1 0 524.665 4.638 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1ccccc1)C3=O ZINC000103732555 555465841 /nfs/dbraw/zinc/46/58/41/555465841.db2.gz RWSZVYVGNZAOFY-WDCWYOMISA-N 1 0 516.686 4.549 50 0 KJAARO COc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@]2(C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000103732567 555465849 /nfs/dbraw/zinc/46/58/49/555465849.db2.gz MDPOCKBXLAANEA-JDNLVSNKSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@]2(C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000103732573 555465862 /nfs/dbraw/zinc/46/58/62/555465862.db2.gz MDPOCKBXLAANEA-MEYXWREJSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(CCCc1ccccc1)C3=O ZINC000103732581 555465829 /nfs/dbraw/zinc/46/58/29/555465829.db2.gz JMAUDSZGGIKASF-UTKFAANNSA-N 1 0 544.740 4.981 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(CCCc1ccccc1)C3=O ZINC000103732587 555465872 /nfs/dbraw/zinc/46/58/72/555465872.db2.gz JMAUDSZGGIKASF-RNDKRWLGSA-N 1 0 544.740 4.981 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1ccccc1OC)C3=O ZINC000103732598 555465835 /nfs/dbraw/zinc/46/58/35/555465835.db2.gz IMTTWSUYJSHMAS-JDNLVSNKSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1OC)C3=O ZINC000103732602 555465883 /nfs/dbraw/zinc/46/58/83/555465883.db2.gz IMTTWSUYJSHMAS-MEYXWREJSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1cccc(OC)c1)C3=O ZINC000103732608 555465858 /nfs/dbraw/zinc/46/58/58/555465858.db2.gz QEWPEIDXZOGOIU-JDNLVSNKSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(OC)c1)C3=O ZINC000103732614 555465902 /nfs/dbraw/zinc/46/59/02/555465902.db2.gz QEWPEIDXZOGOIU-MEYXWREJSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1cccs1)C3=O ZINC000103732619 555465922 /nfs/dbraw/zinc/46/59/22/555465922.db2.gz DIOVFGGNJGUXMJ-LRZFZUCMSA-N 1 0 522.715 4.610 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1ccccc1F)C3=O ZINC000103732631 555465899 /nfs/dbraw/zinc/46/58/99/555465899.db2.gz HHKOYBSJPLQXPE-GUARRIROSA-N 1 0 534.676 4.688 50 0 KJAARO COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000103732648 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/nfs/dbraw/zinc/39/09/26/571390926.db2.gz RHHFFIGCVYAZFR-MNNSJKJDSA-N 1 0 547.721 4.784 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000105061388 571391054 /nfs/dbraw/zinc/39/10/54/571391054.db2.gz SZSVCDMMIBRXBM-MNNSJKJDSA-N 1 0 519.686 4.835 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000105061395 571390996 /nfs/dbraw/zinc/39/09/96/571390996.db2.gz BCYZFUVJTVSGNR-HLADLETHSA-N 1 0 531.722 4.670 50 0 KJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)COCc1ccccc1 ZINC000105061446 571390946 /nfs/dbraw/zinc/39/09/46/571390946.db2.gz ORJWKIYMQSHCAJ-YKGWIAGDSA-N 1 0 535.685 4.501 50 0 KJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000105061527 571390940 /nfs/dbraw/zinc/39/09/40/571390940.db2.gz RZKGZAIUXHYULW-IBVKSMDESA-N 1 0 544.142 4.579 50 0 KJAARO COc1ccc(CC(=O)N2CCCN(C(=O)[C@@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000105061828 571391016 /nfs/dbraw/zinc/39/10/16/571391016.db2.gz UUWZYDIYLQFQHI-DJUQAAIZSA-N 1 0 531.722 4.705 50 0 KJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1 ZINC000105061875 571390952 /nfs/dbraw/zinc/39/09/52/571390952.db2.gz XTFCODZKEGEUJZ-XHCCPWGMSA-N 1 0 511.688 4.588 50 0 KJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)NC1CCCCC1 ZINC000105061915 571390969 /nfs/dbraw/zinc/39/09/69/571390969.db2.gz QEAXXCYAUKMUEJ-NFQMXDRXSA-N 1 0 512.695 4.800 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(C1CCCCC1)C3=O ZINC000105458990 571404954 /nfs/dbraw/zinc/40/49/54/571404954.db2.gz JAZRAKBFUUDGNP-MWXNICTNSA-N 1 0 508.707 4.681 50 0 KJAARO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[N@H+]4CCC[C@@H](C)C4)nn3c2NC(C)(C)C)cc1 ZINC000106318244 571411921 /nfs/dbraw/zinc/41/19/21/571411921.db2.gz OHISDGPSAARFFM-HXUWFJFHSA-N 1 0 511.740 4.651 50 0 KJAARO CSCC[C@H]([NH3+])C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000106588207 571413070 /nfs/dbraw/zinc/41/30/70/571413070.db2.gz XLOFIBURHKEVSM-OJDZSJEKSA-N 1 0 587.786 4.681 50 0 biogenic KJAARO CSCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000106588209 571413018 /nfs/dbraw/zinc/41/30/18/571413018.db2.gz XLOFIBURHKEVSM-RWSKJCERSA-N 1 0 587.786 4.681 50 0 biogenic KJAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449253 571424734 /nfs/dbraw/zinc/42/47/34/571424734.db2.gz BERRLWZQFYTLHY-PMERELPUSA-N 1 0 642.797 4.836 50 0 biogenic KJAARO CCOC(=O)c1cnn(-c2nc3cc(F)c(F)cc3n2C)c1-c1cc(F)c(NCCC[NH+](C)C)c(F)c1F ZINC000108801102 571426605 /nfs/dbraw/zinc/42/66/05/571426605.db2.gz QGYVRRGPAPJHMY-UHFFFAOYSA-N 1 0 536.505 4.662 50 0 KJAARO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000116519577 1067214842 /nfs/dbraw/zinc/21/48/42/1067214842.db2.gz DHKBTAOKHPQHKT-UHFFFAOYSA-N 1 0 580.737 4.857 50 0 in-vitro KJAARO C[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(Cc2ccc(C(F)(F)F)cc2)C(=O)CN2C[C@H](c3ccccc3)NC2=S)CC1 ZINC000150346465 571460466 /nfs/dbraw/zinc/46/04/66/571460466.db2.gz XLPWDPFZLHTEFY-WJOKGBTCSA-N 1 0 694.824 4.905 50 0 KJAARO C[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(Cc2ccc(C(F)(F)F)cc2)C(=O)CN2C[C@@H](c3ccccc3)NC2=S)CC1 ZINC000150346467 571460427 /nfs/dbraw/zinc/46/04/27/571460427.db2.gz XLPWDPFZLHTEFY-HKBQPEDESA-N 1 0 694.824 4.905 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150390619 571472889 /nfs/dbraw/zinc/47/28/89/571472889.db2.gz FBWVNDJLHRRPOU-WJOKGBTCSA-N 1 0 689.810 4.722 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150390622 571472891 /nfs/dbraw/zinc/47/28/91/571472891.db2.gz FBWVNDJLHRRPOU-HKBQPEDESA-N 1 0 689.810 4.722 50 0 KJAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150414352 571485204 /nfs/dbraw/zinc/48/52/04/571485204.db2.gz PWCIVKAGMFXIJP-PMERELPUSA-N 1 0 647.773 4.554 50 0 KJAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150414355 571485180 /nfs/dbraw/zinc/48/51/80/571485180.db2.gz PWCIVKAGMFXIJP-SSEXGKCCSA-N 1 0 647.773 4.554 50 0 KJAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150414360 571485060 /nfs/dbraw/zinc/48/50/60/571485060.db2.gz PGTWKOJJFBGDKQ-LJAQVGFWSA-N 1 0 635.737 4.685 50 0 KJAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150414364 571485183 /nfs/dbraw/zinc/48/51/83/571485183.db2.gz PGTWKOJJFBGDKQ-GDLZYMKVSA-N 1 0 635.737 4.685 50 0 KJAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414410 571485192 /nfs/dbraw/zinc/48/51/92/571485192.db2.gz IRUIPYXCRSMSBU-JGCGQSQUSA-N 1 0 657.837 4.801 50 0 KJAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414415 571485157 /nfs/dbraw/zinc/48/51/57/571485157.db2.gz IRUIPYXCRSMSBU-YTTGMZPUSA-N 1 0 657.837 4.801 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150414421 571485144 /nfs/dbraw/zinc/48/51/44/571485144.db2.gz JCYLJGYAJNFQNJ-YTTGMZPUSA-N 1 0 657.837 4.801 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150414428 571485160 /nfs/dbraw/zinc/48/51/60/571485160.db2.gz JCYLJGYAJNFQNJ-JGCGQSQUSA-N 1 0 657.837 4.801 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150414435 571485070 /nfs/dbraw/zinc/48/50/70/571485070.db2.gz IDZIMMNGKPYCRB-JGCGQSQUSA-N 1 0 685.847 4.579 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150414443 571485029 /nfs/dbraw/zinc/48/50/29/571485029.db2.gz IDZIMMNGKPYCRB-YTTGMZPUSA-N 1 0 685.847 4.579 50 0 KJAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCC[NH+]3CCN(c4ccccc4)CC3)C2=S)cc1 ZINC000150414508 571485170 /nfs/dbraw/zinc/48/51/70/571485170.db2.gz ZRKGOMXPPPCSKK-WJOKGBTCSA-N 1 0 643.810 4.805 50 0 KJAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCC[NH+]3CCN(c4ccccc4)CC3)C2=S)cc1 ZINC000150414514 571485168 /nfs/dbraw/zinc/48/51/68/571485168.db2.gz ZRKGOMXPPPCSKK-HKBQPEDESA-N 1 0 643.810 4.805 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000150414604 571485190 /nfs/dbraw/zinc/48/51/90/571485190.db2.gz KCMYXYKDJZCGBJ-WJOKGBTCSA-N 1 0 671.820 4.583 50 0 KJAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000150414610 571485187 /nfs/dbraw/zinc/48/51/87/571485187.db2.gz KCMYXYKDJZCGBJ-HKBQPEDESA-N 1 0 671.820 4.583 50 0 KJAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000150416910 571486181 /nfs/dbraw/zinc/48/61/81/571486181.db2.gz GTBJPQVRTNBVIN-QRHBHCOUSA-N 1 0 649.630 4.899 50 0 KJAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000150416916 571486137 /nfs/dbraw/zinc/48/61/37/571486137.db2.gz GTBJPQVRTNBVIN-LNVHHCMDSA-N 1 0 649.630 4.899 50 0 KJAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000150425471 571489729 /nfs/dbraw/zinc/48/97/29/571489729.db2.gz BSCWSPXAOLTHGW-UHFFFAOYSA-N 1 0 650.205 4.907 50 0 KJAARO CCOc1cc(CC2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000150427411 571491540 /nfs/dbraw/zinc/49/15/40/571491540.db2.gz FISMYCCFHQOSAK-RPWUZVMVSA-N 1 0 667.590 4.831 50 0 KJAARO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677261 571554741 /nfs/dbraw/zinc/55/47/41/571554741.db2.gz DZTFKAWHGUYVKI-RSXGOPAZSA-N 1 0 529.628 4.868 50 0 KJAARO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677267 571554807 /nfs/dbraw/zinc/55/48/07/571554807.db2.gz JCIMJTRACYBVAQ-IAPPQJPRSA-N 1 0 523.599 4.806 50 0 KJAARO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677268 571554777 /nfs/dbraw/zinc/55/47/77/571554777.db2.gz JCIMJTRACYBVAQ-XCZPVHLTSA-N 1 0 523.599 4.806 50 0 KJAARO O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677277 571554834 /nfs/dbraw/zinc/55/48/34/571554834.db2.gz LPDJEUBNJJYJDW-RSXGOPAZSA-N 1 0 501.593 4.896 50 0 KJAARO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677283 571554882 /nfs/dbraw/zinc/55/48/82/571554882.db2.gz FEQBREXZEAPRIC-VPUSJEBWSA-N 1 0 527.562 4.903 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)COc2ccccc2)[C@@H](C)C1 ZINC000169677349 571554825 /nfs/dbraw/zinc/55/48/25/571554825.db2.gz OQAOFUTVSOTAKC-YUDQIZAISA-N 1 0 517.695 4.532 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000169677350 571554831 /nfs/dbraw/zinc/55/48/31/571554831.db2.gz SFSHDUFWMWEENB-RBTNQOKQSA-N 1 0 558.169 4.969 50 0 KJAARO COc1ccccc1NC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169677354 571554750 /nfs/dbraw/zinc/55/47/50/571554750.db2.gz WWYLSICYVKFRKJ-WTYVLRPYSA-N 1 0 536.673 4.998 50 0 KJAARO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677662 571555183 /nfs/dbraw/zinc/55/51/83/571555183.db2.gz AFEVTPWGVDUURZ-RSXGOPAZSA-N 1 0 529.006 4.976 50 0 KJAARO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677663 571555076 /nfs/dbraw/zinc/55/50/76/571555076.db2.gz AFEVTPWGVDUURZ-AHWVRZQESA-N 1 0 529.006 4.976 50 0 KJAARO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677736 571555289 /nfs/dbraw/zinc/55/52/89/571555289.db2.gz SYROLYWEHCVWLN-IAPPQJPRSA-N 1 0 507.600 4.970 50 0 KJAARO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677737 571555341 /nfs/dbraw/zinc/55/53/41/571555341.db2.gz SYROLYWEHCVWLN-XCZPVHLTSA-N 1 0 507.600 4.970 50 0 KJAARO CCOC(=O)C1=C(C)N(CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000169677768 571555403 /nfs/dbraw/zinc/55/54/03/571555403.db2.gz ZHYYLFHJKMOQOJ-FUFSCUOVSA-N 1 0 561.723 4.799 50 0 KJAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)Cc2ccccc2)CC2CC2)cc1 ZINC000169677843 571555361 /nfs/dbraw/zinc/55/53/61/571555361.db2.gz ARXQAXLPXMCSPH-LBNVMWSVSA-N 1 0 504.696 4.877 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000169678392 571555603 /nfs/dbraw/zinc/55/56/03/571555603.db2.gz DTCUENQOUKSSKX-LEAFIULHSA-N 1 0 522.711 4.851 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](O)COCc1ccccc1 ZINC000169678440 571555906 /nfs/dbraw/zinc/55/59/06/571555906.db2.gz QLMXWEYFOCIHQR-SHQCIBLASA-N 1 0 526.674 4.682 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000169678859 571555909 /nfs/dbraw/zinc/55/59/09/571555909.db2.gz PTTJYRWTLZTEKI-ATIYNZHBSA-N 1 0 512.647 4.544 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC(C)C ZINC000169679254 571556254 /nfs/dbraw/zinc/55/62/54/571556254.db2.gz MOFXYLZZMFVIBA-ZEQKJWHPSA-N 1 0 502.721 4.874 50 0 KJAARO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COCc2ccccc2)C2CC2)c1 ZINC000169679484 571556278 /nfs/dbraw/zinc/55/62/78/571556278.db2.gz LSXDVLPTAQWGGB-LEAFIULHSA-N 1 0 520.695 4.603 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000169679635 571556226 /nfs/dbraw/zinc/55/62/26/571556226.db2.gz SSLPXJOODNNGJV-ZEQKJWHPSA-N 1 0 526.674 4.852 50 0 KJAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000169680127 571556723 /nfs/dbraw/zinc/55/67/23/571556723.db2.gz YGGQCKUKZBCYJI-XNMGPUDCSA-N 1 0 522.711 4.769 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169680153 571556754 /nfs/dbraw/zinc/55/67/54/571556754.db2.gz LSHPJDROXFEJNR-LEAFIULHSA-N 1 0 522.711 4.851 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169680327 571556610 /nfs/dbraw/zinc/55/66/10/571556610.db2.gz ISOZENFDVPJHPA-AOYPEHQESA-N 1 0 538.710 4.551 50 0 KJAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000169680353 571556760 /nfs/dbraw/zinc/55/67/60/571556760.db2.gz ZXRGNIQFMNVAQI-ZEQKJWHPSA-N 1 0 502.721 4.732 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000169680380 571556757 /nfs/dbraw/zinc/55/67/57/571556757.db2.gz CREXICDMVAPWII-YIXXDRMTSA-N 1 0 508.684 4.713 50 0 KJAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000169680386 571556707 /nfs/dbraw/zinc/55/67/07/571556707.db2.gz RPOJBOGVWGMROA-ILBGXUMGSA-N 1 0 508.684 4.632 50 0 KJAARO Cc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680831 571556990 /nfs/dbraw/zinc/55/69/90/571556990.db2.gz GHPIKNYQTUTXCM-RBTNQOKQSA-N 1 0 505.659 4.906 50 0 KJAARO COc1cccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000169680839 571556862 /nfs/dbraw/zinc/55/68/62/571556862.db2.gz UJHHEFAJFCOLEM-WTYVLRPYSA-N 1 0 536.673 4.998 50 0 KJAARO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680897 571557254 /nfs/dbraw/zinc/55/72/54/571557254.db2.gz WZYVGEXOYLSODU-QXNWPYRLSA-N 1 0 531.722 4.670 50 0 KJAARO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680898 571557350 /nfs/dbraw/zinc/55/73/50/571557350.db2.gz WZYVGEXOYLSODU-DLLPINGYSA-N 1 0 531.722 4.670 50 0 KJAARO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169680912 571557271 /nfs/dbraw/zinc/55/72/71/571557271.db2.gz CTEHXRQEQQCVBJ-RBTNQOKQSA-N 1 0 507.725 4.758 50 0 KJAARO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169680913 571557347 /nfs/dbraw/zinc/55/73/47/571557347.db2.gz CTEHXRQEQQCVBJ-KMRXNPHXSA-N 1 0 507.725 4.758 50 0 KJAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000169681575 571557457 /nfs/dbraw/zinc/55/74/57/571557457.db2.gz LCVCALLFNVKNRY-ATIYNZHBSA-N 1 0 512.647 4.542 50 0 KJAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169681578 571557444 /nfs/dbraw/zinc/55/74/44/571557444.db2.gz OLCSTFRJRVNCAV-SHQCIBLASA-N 1 0 526.674 4.680 50 0 KJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169681580 571557569 /nfs/dbraw/zinc/55/75/69/571557569.db2.gz RKMHCIPKZJZKMJ-SHQCIBLASA-N 1 0 526.674 4.682 50 0 KJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000169771429 571560137 /nfs/dbraw/zinc/56/01/37/571560137.db2.gz PIOPLCBLRJPREQ-IIUUKQIWSA-N 1 0 537.701 4.681 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000169777844 571560388 /nfs/dbraw/zinc/56/03/88/571560388.db2.gz JDVIFCPDWXJKKX-CFCWSMIUSA-N 1 0 522.070 4.881 50 0 KJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000169777846 571560422 /nfs/dbraw/zinc/56/04/22/571560422.db2.gz JDVIFCPDWXJKKX-YMLFONJDSA-N 1 0 522.070 4.881 50 0 KJAARO Cc1oc(-c2ccc(C)cc2)nc1C[NH+]1CCC(C(=O)N2CCC[C@@H](c3nc(C4CCOCC4)no3)C2)CC1 ZINC000169779879 1066474122 /nfs/dbraw/zinc/47/41/22/1066474122.db2.gz FPGJDFDCIFXNRM-RUZDIDTESA-N 1 0 533.673 4.854 50 0 KJAARO Cc1oc(-c2ccc(C)cc2)nc1C[NH+]1CCC(C(=O)N2CCC[C@H](c3nc(C4CCOCC4)no3)C2)CC1 ZINC000169779880 1066478566 /nfs/dbraw/zinc/47/85/66/1066478566.db2.gz FPGJDFDCIFXNRM-VWLOTQADSA-N 1 0 533.673 4.854 50 0 KJAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCC(c3nc(C4CCOCC4)no3)CC2)CC1 ZINC000169779933 1066478323 /nfs/dbraw/zinc/47/83/23/1066478323.db2.gz PAMIEWBILCGXMB-UHFFFAOYSA-N 1 0 533.673 4.854 50 0 KJAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)CC1 ZINC000169779945 1066479360 /nfs/dbraw/zinc/47/93/60/1066479360.db2.gz VRYMLDFVJVZPSS-UHFFFAOYSA-N 1 0 547.700 4.929 50 0 KJAARO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)C1 ZINC000169779947 1066479249 /nfs/dbraw/zinc/47/92/49/1066479249.db2.gz REALWHWPMJVBHZ-RUZDIDTESA-N 1 0 533.673 4.620 50 0 KJAARO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H](C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)C1 ZINC000169779948 1066479387 /nfs/dbraw/zinc/47/93/87/1066479387.db2.gz REALWHWPMJVBHZ-VWLOTQADSA-N 1 0 533.673 4.620 50 0 KJAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCC(Cc3nncn3C(C)C)CC2)CC1 ZINC000169780085 1066479372 /nfs/dbraw/zinc/47/93/72/1066479372.db2.gz MUEPAAMREJSRLZ-UHFFFAOYSA-N 1 0 504.679 4.824 50 0 KJAARO Cc1oc(-c2ccc(C)cc2)nc1C[NH+]1CCC(C(=O)N2CCC(Cc3nncn3C(C)C)CC2)CC1 ZINC000169780493 1066479336 /nfs/dbraw/zinc/47/93/36/1066479336.db2.gz AJHCTOGPDSBQAN-UHFFFAOYSA-N 1 0 504.679 4.824 50 0 KJAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCC[C@@H]2c2nc(C3CCOCC3)no2)CC1 ZINC000169780644 1066479193 /nfs/dbraw/zinc/47/91/93/1066479193.db2.gz PTHKBXGQVHUCRZ-RUZDIDTESA-N 1 0 519.646 4.811 50 0 KJAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCC[C@H]2c2nc(C3CCOCC3)no2)CC1 ZINC000169780645 1066479305 /nfs/dbraw/zinc/47/93/05/1066479305.db2.gz PTHKBXGQVHUCRZ-VWLOTQADSA-N 1 0 519.646 4.811 50 0 KJAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCC[C@@H](c3nc(C4CCOCC4)no3)C2)CC1 ZINC000169781001 1066480049 /nfs/dbraw/zinc/48/00/49/1066480049.db2.gz JKJOLXOZTOOLMM-RUZDIDTESA-N 1 0 533.673 4.854 50 0 KJAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCC[C@H](c3nc(C4CCOCC4)no3)C2)CC1 ZINC000169781002 1066480003 /nfs/dbraw/zinc/48/00/03/1066480003.db2.gz JKJOLXOZTOOLMM-VWLOTQADSA-N 1 0 533.673 4.854 50 0 KJAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)[C@@H]1c1cccs1 ZINC000169782411 571560394 /nfs/dbraw/zinc/56/03/94/571560394.db2.gz CNDZFDGPXXKIIO-YDZBWFOPSA-N 1 0 560.764 4.701 50 0 KJAARO COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1OC ZINC000169784700 571560386 /nfs/dbraw/zinc/56/03/86/571560386.db2.gz TWNUZWJIHMARIM-ULIDOWHDSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@]2(C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000169784775 571560438 /nfs/dbraw/zinc/56/04/38/571560438.db2.gz MDPOCKBXLAANEA-ULIDOWHDSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(CCCc1ccccc1)C3=O ZINC000169784778 571560392 /nfs/dbraw/zinc/56/03/92/571560392.db2.gz JMAUDSZGGIKASF-WTBTXGFSSA-N 1 0 544.740 4.981 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1ccccc1OC)C3=O ZINC000169784780 571560419 /nfs/dbraw/zinc/56/04/19/571560419.db2.gz IMTTWSUYJSHMAS-ULIDOWHDSA-N 1 0 546.712 4.557 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1cccc(OC)c1)C3=O ZINC000169784784 571560480 /nfs/dbraw/zinc/56/04/80/571560480.db2.gz QEWPEIDXZOGOIU-ULIDOWHDSA-N 1 0 546.712 4.557 50 0 KJAARO CCOc1ccccc1CN1C(=O)c2cc3ccc(OC)cc3n2C[C@]1(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000169784792 571560410 /nfs/dbraw/zinc/56/04/10/571560410.db2.gz QKQRDLIKZUEZJT-NJQVLOCASA-N 1 0 560.739 4.948 50 0 KJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1cccc(OC)c1OC)C3=O ZINC000169784795 571560471 /nfs/dbraw/zinc/56/04/71/571560471.db2.gz YLEFLRSGHVDWLP-JJWUTGECSA-N 1 0 576.738 4.566 50 0 KJAARO CCOc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@]2(C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000169793363 571560574 /nfs/dbraw/zinc/56/05/74/571560574.db2.gz BWPXUZSMNPJVMG-NJQVLOCASA-N 1 0 560.739 4.948 50 0 KJAARO CN1CCCN(S(=O)(=O)c2nc(-c3ccc(Br)cc3)oc2-c2ccc(Cl)cc2)CC1 ZINC000170623627 1066474821 /nfs/dbraw/zinc/47/48/21/1066474821.db2.gz INYMAUWZTVOMEF-UHFFFAOYSA-N 1 0 510.841 4.751 50 0 KJAARO C[C@@H](Oc1cc(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)nnc1N)c1c(Cl)ccc(F)c1Cl ZINC000199407645 571569043 /nfs/dbraw/zinc/56/90/43/571569043.db2.gz GLYMPHUVMRFTFV-QLFBSQMISA-N 1 0 561.445 4.719 50 0 in-vitro KJAARO O=C(NCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000200502859 1066505693 /nfs/dbraw/zinc/50/56/93/1066505693.db2.gz YICUCGNNLPTNNX-RPLLCQBOSA-N 1 0 555.641 4.824 50 0 KJAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000200510170 1066505759 /nfs/dbraw/zinc/50/57/59/1066505759.db2.gz CGBZPSYZFNXTNS-AZGAKELHSA-N 1 0 542.680 4.765 50 0 KJAARO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000200544968 1066505733 /nfs/dbraw/zinc/50/57/33/1066505733.db2.gz ZKVFSYNFGIZBIS-QVWWMRLHSA-N 1 0 541.736 4.684 50 0 KJAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000200545135 1066505665 /nfs/dbraw/zinc/50/56/65/1066505665.db2.gz QREZDLAKAAOPJJ-LOSJGSFVSA-N 1 0 550.659 4.779 50 0 KJAARO O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000200596559 1066505782 /nfs/dbraw/zinc/50/57/82/1066505782.db2.gz JBHDXHCRHVBBSE-WIOPSUGQSA-N 1 0 554.613 4.517 50 0 KJAARO C[NH+]1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC(=O)C5CC5)ncn4)cc3)cc2C(F)(F)F)CC1 ZINC000205669012 562875647 /nfs/dbraw/zinc/87/56/47/562875647.db2.gz FTODTDQFHDJWIQ-UHFFFAOYSA-N 1 0 568.600 4.565 50 0 in-vitro KJAARO COc1cc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2CCC[NH+]2CCCCC2)cc1Cl ZINC000206596066 571572906 /nfs/dbraw/zinc/57/29/06/571572906.db2.gz KZWNRBCOVZDWCI-UHFFFAOYSA-N 1 0 537.107 4.735 50 0 KJAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H]([NH2+]Cc3ccc(Cl)cc3)CN1Cc1ccccc1)CC2 ZINC000208066870 1067164763 /nfs/dbraw/zinc/16/47/63/1067164763.db2.gz UONZILWTTPRSNK-SVBPBHIXSA-N 1 0 520.073 4.675 50 0 KJAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000225420663 571787900 /nfs/dbraw/zinc/78/79/00/571787900.db2.gz CWUPUCGPBIVOTO-AXBJABAESA-N 1 0 578.798 4.860 50 0 KJAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000225420709 571787718 /nfs/dbraw/zinc/78/77/18/571787718.db2.gz CWUPUCGPBIVOTO-GWKPCNLLSA-N 1 0 578.798 4.860 50 0 KJAARO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000225420968 571788211 /nfs/dbraw/zinc/78/82/11/571788211.db2.gz OZEFJHJIZICZPC-UFSCWTOFSA-N 1 0 576.782 4.613 50 0 KJAARO CSCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000229596204 572154314 /nfs/dbraw/zinc/15/43/14/572154314.db2.gz XLOFIBURHKEVSM-CHQNGUEUSA-N 1 0 587.786 4.681 50 0 KJAARO CSCC[C@H]([NH3+])C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000229596223 572154596 /nfs/dbraw/zinc/15/45/96/572154596.db2.gz XLOFIBURHKEVSM-YPKYBTACSA-N 1 0 587.786 4.681 50 0 KJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000230066872 572182408 /nfs/dbraw/zinc/18/24/08/572182408.db2.gz IYMILNLWPOOXJA-MHZHKKNFSA-N 1 0 515.629 4.916 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000230068428 572182368 /nfs/dbraw/zinc/18/23/68/572182368.db2.gz OGTXQGWCGVKKBD-CONSDPRKSA-N 1 0 575.706 4.660 50 0 KJAARO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000230068437 572182426 /nfs/dbraw/zinc/18/24/26/572182426.db2.gz OGTXQGWCGVKKBD-JSOSNVBQSA-N 1 0 575.706 4.660 50 0 KJAARO CCN(CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000230068445 572182374 /nfs/dbraw/zinc/18/23/74/572182374.db2.gz YLWVDSAFYFTOFP-CONSDPRKSA-N 1 0 575.706 4.973 50 0 KJAARO CCN(CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000230068448 572182208 /nfs/dbraw/zinc/18/22/08/572182208.db2.gz YLWVDSAFYFTOFP-JSOSNVBQSA-N 1 0 575.706 4.973 50 0 KJAARO CCN(CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000230068497 572182432 /nfs/dbraw/zinc/18/24/32/572182432.db2.gz HMTXWIXQRNJAAW-KYJUHHDHSA-N 1 0 561.679 4.664 50 0 KJAARO CCN(CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000230068507 572182238 /nfs/dbraw/zinc/18/22/38/572182238.db2.gz HMTXWIXQRNJAAW-IHLOFXLRSA-N 1 0 561.679 4.664 50 0 KJAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)[C@H]1c1cccs1 ZINC000230076415 572182663 /nfs/dbraw/zinc/18/26/63/572182663.db2.gz CNDZFDGPXXKIIO-QZFRTWIZSA-N 1 0 560.764 4.701 50 0 KJAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000230077638 572182845 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4.584 50 0 KJAARO O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247791203 572245056 /nfs/dbraw/zinc/24/50/56/572245056.db2.gz ADOMKIGZKXWXHB-DEOSSOPVSA-N 1 0 586.534 4.985 50 0 KJAARO O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247791208 572245024 /nfs/dbraw/zinc/24/50/24/572245024.db2.gz ADOMKIGZKXWXHB-XMMPIXPASA-N 1 0 586.534 4.985 50 0 KJAARO O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247791888 572244899 /nfs/dbraw/zinc/24/48/99/572244899.db2.gz AKYPVJIRFAXVEH-AREMUKBSSA-N 1 0 556.110 4.935 50 0 KJAARO O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247791891 572245044 /nfs/dbraw/zinc/24/50/44/572245044.db2.gz AKYPVJIRFAXVEH-SANMLTNESA-N 1 0 556.110 4.935 50 0 KJAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247806461 572245307 /nfs/dbraw/zinc/24/53/07/572245307.db2.gz BMBQMWVUNOMLOQ-RUZDIDTESA-N 1 0 511.645 4.721 50 0 KJAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247806466 572245429 /nfs/dbraw/zinc/24/54/29/572245429.db2.gz BMBQMWVUNOMLOQ-VWLOTQADSA-N 1 0 511.645 4.721 50 0 KJAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247852161 572246236 /nfs/dbraw/zinc/24/62/36/572246236.db2.gz JBBPTNLMTJFOAL-JOCHJYFZSA-N 1 0 515.608 4.865 50 0 KJAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247852164 572246409 /nfs/dbraw/zinc/24/64/09/572246409.db2.gz JBBPTNLMTJFOAL-QFIPXVFZSA-N 1 0 515.608 4.865 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247868433 572247070 /nfs/dbraw/zinc/24/70/70/572247070.db2.gz CEFWKOMSTPRVHZ-AREMUKBSSA-N 1 0 523.681 4.654 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247868437 572247115 /nfs/dbraw/zinc/24/71/15/572247115.db2.gz CEFWKOMSTPRVHZ-SANMLTNESA-N 1 0 523.681 4.654 50 0 KJAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247869322 572247092 /nfs/dbraw/zinc/24/70/92/572247092.db2.gz QDGRCSQRYSZXDB-JOCHJYFZSA-N 1 0 515.608 4.865 50 0 KJAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247869328 572247102 /nfs/dbraw/zinc/24/71/02/572247102.db2.gz QDGRCSQRYSZXDB-QFIPXVFZSA-N 1 0 515.608 4.865 50 0 KJAARO CCOc1ccc(CCN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)cc1OCC ZINC000247872102 572247109 /nfs/dbraw/zinc/24/71/09/572247109.db2.gz LOJQTMUNZKLHGR-VDWGHMIBSA-N 1 0 521.702 4.993 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5OC)CC4)C3)nc3ccccc32)cc1 ZINC000247874537 572247622 /nfs/dbraw/zinc/24/76/22/572247622.db2.gz GNAHPKKKOAEILY-AREMUKBSSA-N 1 0 553.707 4.663 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5OC)CC4)C3)nc3ccccc32)cc1 ZINC000247874539 572247461 /nfs/dbraw/zinc/24/74/61/572247461.db2.gz GNAHPKKKOAEILY-SANMLTNESA-N 1 0 553.707 4.663 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(F)cc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247885453 572248281 /nfs/dbraw/zinc/24/82/81/572248281.db2.gz KRPKAFWGMMHUOM-DEOSSOPVSA-N 1 0 559.661 4.932 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(F)cc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247885459 572248253 /nfs/dbraw/zinc/24/82/53/572248253.db2.gz KRPKAFWGMMHUOM-XMMPIXPASA-N 1 0 559.661 4.932 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247894520 572248772 /nfs/dbraw/zinc/24/87/72/572248772.db2.gz NWTMIFWTMSKOAG-RUZDIDTESA-N 1 0 541.671 4.793 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247894528 572248786 /nfs/dbraw/zinc/24/87/86/572248786.db2.gz NWTMIFWTMSKOAG-VWLOTQADSA-N 1 0 541.671 4.793 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(C(=O)c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247902658 572249000 /nfs/dbraw/zinc/24/90/00/572249000.db2.gz RLLCYZPISXJLJJ-RUZDIDTESA-N 1 0 586.136 4.943 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(C(=O)c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247902661 572248908 /nfs/dbraw/zinc/24/89/08/572248908.db2.gz RLLCYZPISXJLJJ-VWLOTQADSA-N 1 0 586.136 4.943 50 0 KJAARO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000247928582 572249829 /nfs/dbraw/zinc/24/98/29/572249829.db2.gz BSLNTCMTDKFTLK-GZFHLBNCSA-N 1 0 506.389 4.533 50 0 KJAARO O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247949144 572250572 /nfs/dbraw/zinc/25/05/72/572250572.db2.gz RYHHEPNKPLFDJV-DEOSSOPVSA-N 1 0 586.534 4.985 50 0 KJAARO O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247949147 572250703 /nfs/dbraw/zinc/25/07/03/572250703.db2.gz RYHHEPNKPLFDJV-XMMPIXPASA-N 1 0 586.534 4.985 50 0 KJAARO O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1[C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000247961085 572250951 /nfs/dbraw/zinc/25/09/51/572250951.db2.gz XPHWSLMTNITVDN-APSVEGKFSA-N 1 0 531.534 4.731 50 0 KJAARO O=C1[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000247961088 572250836 /nfs/dbraw/zinc/25/08/36/572250836.db2.gz XPHWSLMTNITVDN-GYKHTSFTSA-N 1 0 531.534 4.731 50 0 KJAARO Cn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247962330 572250942 /nfs/dbraw/zinc/25/09/42/572250942.db2.gz FOZUOAIIJHBIPB-HHHXNRCGSA-N 1 0 507.682 4.719 50 0 KJAARO Cn1c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247962332 572250980 /nfs/dbraw/zinc/25/09/80/572250980.db2.gz FOZUOAIIJHBIPB-MHZLTWQESA-N 1 0 507.682 4.719 50 0 KJAARO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000247971106 572251280 /nfs/dbraw/zinc/25/12/80/572251280.db2.gz SIZOWOMSYOWCDN-BULLSLEHSA-N 1 0 505.549 4.519 50 0 KJAARO Cc1ccc(NC(=O)[C@@H](C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000248001152 572251852 /nfs/dbraw/zinc/25/18/52/572251852.db2.gz SRGHKSNBCVFOHT-LEAFIULHSA-N 1 0 506.574 4.930 50 0 KJAARO Cc1ccc(NC(=O)[C@H](C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000248001157 572251817 /nfs/dbraw/zinc/25/18/17/572251817.db2.gz SRGHKSNBCVFOHT-NAKRPHOHSA-N 1 0 506.574 4.930 50 0 KJAARO CCC[NH+]1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000248019993 572252162 /nfs/dbraw/zinc/25/21/62/572252162.db2.gz UGUMFVUIHFORQI-UHFFFAOYSA-N 1 0 524.507 4.554 50 0 KJAARO CCC[NH+]1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000248028782 572252607 /nfs/dbraw/zinc/25/26/07/572252607.db2.gz XAMAWEKDPWMKNE-UHFFFAOYSA-N 1 0 524.507 4.554 50 0 KJAARO Cc1ccccc1OC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000248041787 572252837 /nfs/dbraw/zinc/25/28/37/572252837.db2.gz VEEDPRNDVLJSFD-JYFHCDHNSA-N 1 0 526.674 4.851 50 0 KJAARO Cc1ccccc1OC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000248041790 572252775 /nfs/dbraw/zinc/25/27/75/572252775.db2.gz VEEDPRNDVLJSFD-ZEQKJWHPSA-N 1 0 526.674 4.851 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000248053990 572253012 /nfs/dbraw/zinc/25/30/12/572253012.db2.gz BCYZFUVJTVSGNR-AYWVHJORSA-N 1 0 531.722 4.670 50 0 KJAARO CCc1ccc(C(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248074236 572253140 /nfs/dbraw/zinc/25/31/40/572253140.db2.gz HYIFNWWCDWBPAL-RBISFHTESA-N 1 0 501.696 4.940 50 0 KJAARO CCc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248074244 572253131 /nfs/dbraw/zinc/25/31/31/572253131.db2.gz HYIFNWWCDWBPAL-SKCUWOTOSA-N 1 0 501.696 4.940 50 0 KJAARO COc1ccc(Cn2c(CN3CCC(C(=O)N4CCN(c5ccc(C)cc5)CC4)CC3)nc3ccccc32)cc1 ZINC000248079611 572253266 /nfs/dbraw/zinc/25/32/66/572253266.db2.gz CLGNWLJRDHETQV-UHFFFAOYSA-N 1 0 537.708 4.962 50 0 KJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000248081703 572253292 /nfs/dbraw/zinc/25/32/92/572253292.db2.gz IWKDOZOFNQPQRH-NLFFAJNJSA-N 1 0 523.549 4.691 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000248102709 572253531 /nfs/dbraw/zinc/25/35/31/572253531.db2.gz PPJXBHVERXQFAG-JIPXPUAJSA-N 1 0 507.725 4.758 50 0 KJAARO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)[C@@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000248107940 572253790 /nfs/dbraw/zinc/25/37/90/572253790.db2.gz RHHFFIGCVYAZFR-KPURRNSFSA-N 1 0 547.721 4.784 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000248109892 572253761 /nfs/dbraw/zinc/25/37/61/572253761.db2.gz RZKGZAIUXHYULW-FQRUVTKNSA-N 1 0 544.142 4.579 50 0 KJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000248118433 572254029 /nfs/dbraw/zinc/25/40/29/572254029.db2.gz WFQMAZIXUZIYPM-JIPXPUAJSA-N 1 0 505.659 4.906 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000248122601 572254273 /nfs/dbraw/zinc/25/42/73/572254273.db2.gz SJKZEYNUIJLDSS-HHHXNRCGSA-N 1 0 537.708 4.962 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000248122605 572254233 /nfs/dbraw/zinc/25/42/33/572254233.db2.gz SJKZEYNUIJLDSS-MHZLTWQESA-N 1 0 537.708 4.962 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5cccc(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000248131222 572254638 /nfs/dbraw/zinc/25/46/38/572254638.db2.gz XDURCEYEIWRNKT-HHHXNRCGSA-N 1 0 537.708 4.962 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000248131225 572254630 /nfs/dbraw/zinc/25/46/30/572254630.db2.gz XDURCEYEIWRNKT-MHZLTWQESA-N 1 0 537.708 4.962 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000248135631 572254952 /nfs/dbraw/zinc/25/49/52/572254952.db2.gz ZOLZVALAKARLQC-HHHXNRCGSA-N 1 0 537.708 4.962 50 0 KJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000248135635 572254985 /nfs/dbraw/zinc/25/49/85/572254985.db2.gz ZOLZVALAKARLQC-MHZLTWQESA-N 1 0 537.708 4.962 50 0 KJAARO Cc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000248143026 572255427 /nfs/dbraw/zinc/25/54/27/572255427.db2.gz GHPIKNYQTUTXCM-LYZGTLIUSA-N 1 0 505.659 4.906 50 0 KJAARO COc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248151660 572255789 /nfs/dbraw/zinc/25/57/89/572255789.db2.gz WKOLVTOKZXGFNK-HSZRJFAPSA-N 1 0 527.644 4.734 50 0 KJAARO COc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248151663 572255763 /nfs/dbraw/zinc/25/57/63/572255763.db2.gz WKOLVTOKZXGFNK-QHCPKHFHSA-N 1 0 527.644 4.734 50 0 KJAARO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248151797 572255770 /nfs/dbraw/zinc/25/57/70/572255770.db2.gz WRXCMIWPALOPGL-HSZRJFAPSA-N 1 0 527.644 4.734 50 0 KJAARO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248151801 572255801 /nfs/dbraw/zinc/25/58/01/572255801.db2.gz WRXCMIWPALOPGL-QHCPKHFHSA-N 1 0 527.644 4.734 50 0 KJAARO CCCC[NH+]1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000248216743 572256755 /nfs/dbraw/zinc/25/67/55/572256755.db2.gz GMZKURRXQCOEMY-UHFFFAOYSA-N 1 0 538.534 4.944 50 0 KJAARO CCCC[NH+]1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000248230356 572256728 /nfs/dbraw/zinc/25/67/28/572256728.db2.gz KQJFEOQKNUERSK-UHFFFAOYSA-N 1 0 538.534 4.944 50 0 KJAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccccc4N4CC[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289328 572257800 /nfs/dbraw/zinc/25/78/00/572257800.db2.gz JBJYBMJNDUNNLP-IZEXYCQBSA-N 1 0 508.622 4.519 50 0 KJAARO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccccc4N4CC[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289329 572257713 /nfs/dbraw/zinc/25/77/13/572257713.db2.gz JBJYBMJNDUNNLP-QCENPCRXSA-N 1 0 508.622 4.519 50 0 KJAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000249684714 572258692 /nfs/dbraw/zinc/25/86/92/572258692.db2.gz DZODBGWNTUMCFI-FQEVSTJZSA-N 1 0 528.484 4.560 50 0 KJAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000249684716 572258782 /nfs/dbraw/zinc/25/87/82/572258782.db2.gz DZODBGWNTUMCFI-HXUWFJFHSA-N 1 0 528.484 4.560 50 0 KJAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000249696158 572258800 /nfs/dbraw/zinc/25/88/00/572258800.db2.gz SDCRAFZKOASRMY-IBGZPJMESA-N 1 0 528.484 4.560 50 0 KJAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000249696159 572258830 /nfs/dbraw/zinc/25/88/30/572258830.db2.gz SDCRAFZKOASRMY-LJQANCHMSA-N 1 0 528.484 4.560 50 0 KJAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000249700655 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COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000263586122 572122021 /nfs/dbraw/zinc/12/20/21/572122021.db2.gz QLOCFXZCPKMSKW-OQQAHCFDSA-N 1 0 618.775 4.728 50 0 KJAARO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586198 572122049 /nfs/dbraw/zinc/12/20/49/572122049.db2.gz RFEKEWRXWKHBCI-RWAXGWBCSA-N 1 0 634.818 4.680 50 0 KJAARO O=C([C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1Cc1ccncc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299759191 1066392855 /nfs/dbraw/zinc/39/28/55/1066392855.db2.gz BDCGMVNANGJCKV-VPUSJEBWSA-N 1 0 529.651 4.705 50 0 KJAARO CCOc1cc(CN2C[C@H](Sc3ccccn3)C[C@H]2C(=O)Nc2ccc3nccnc3c2)ccc1O ZINC000299760764 572134839 /nfs/dbraw/zinc/13/48/39/572134839.db2.gz OVQZMPNWYDQKHL-OFNKIYASSA-N 1 0 501.612 4.503 50 0 KJAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3ccccc3)C2)c2ccccc12 ZINC000299764927 1066392939 /nfs/dbraw/zinc/39/29/39/1066392939.db2.gz WVFUQOJNWFRLGD-WNJJXGMVSA-N 1 0 537.660 4.669 50 0 KJAARO COc1ccccc1-c1ccc(C(=O)N2CCN(c3ccccc3C)CC2)c(N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)n1 ZINC000299767025 572135523 /nfs/dbraw/zinc/13/55/23/572135523.db2.gz AVARQUAUCMTZGZ-HHHXNRCGSA-N 1 0 583.777 4.701 50 0 KJAARO COc1ccccc1-c1ccc(C(=O)N2CCN(c3ccccc3C)CC2)c(N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)n1 ZINC000299767026 572135531 /nfs/dbraw/zinc/13/55/31/572135531.db2.gz AVARQUAUCMTZGZ-MHZLTWQESA-N 1 0 583.777 4.701 50 0 KJAARO O=C(c1ccc(-n2ccnc2)cc1)N1CCC(Oc2cccc(C[NH+]3CCN(c4ccccc4)CC3)c2)CC1 ZINC000299767162 1066392783 /nfs/dbraw/zinc/39/27/83/1066392783.db2.gz GKYYVGXGDAUSNV-UHFFFAOYSA-N 1 0 521.665 4.878 50 0 KJAARO CCn1c2ccccc2c2cc(C[NH2+][C@H]3C[C@@H](C(=O)NCCOC)N(Cc4ccc(Cl)cc4)C3)ccc21 ZINC000299768657 1066392907 /nfs/dbraw/zinc/39/29/07/1066392907.db2.gz YNOJYSDCEWNUBM-OUTSHDOLSA-N 1 0 519.089 4.963 50 0 KJAARO CCN1CCC([NH2+][C@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(C/C=C/c3ccccc3)C2)CC1 ZINC000299770627 1066392561 /nfs/dbraw/zinc/39/25/61/1066392561.db2.gz XDTFEVNYUAFZLA-KPDMQJOWSA-N 1 0 569.716 4.584 50 0 KJAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3ccccc3)C2)c2ccccc12 ZINC000299771760 1066392993 /nfs/dbraw/zinc/39/29/93/1066392993.db2.gz WVFUQOJNWFRLGD-UHSQPCAPSA-N 1 0 537.660 4.669 50 0 KJAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OC)c(C)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299772604 572136069 /nfs/dbraw/zinc/13/60/69/572136069.db2.gz AEUUWMYQCMZQSX-JYFHCDHNSA-N 1 0 533.635 4.988 50 0 KJAARO O=C([C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299773104 1066393163 /nfs/dbraw/zinc/39/31/63/1066393163.db2.gz AKBBJGGXDLEYIY-XCZPVHLTSA-N 1 0 540.605 4.926 50 0 KJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1Cc1ccc(Cl)cc1 ZINC000299775133 1066393369 /nfs/dbraw/zinc/39/33/69/1066393369.db2.gz HNCDJANXARKWID-MFMYYZMFSA-N 1 0 536.116 4.785 50 0 KJAARO COc1cc2nc(N3CCC[C@H](O)C3)c(C[NH2+]Cc3ccc(C(F)(F)F)cc3)cc2c(OC)c1OC ZINC000299776330 1066393337 /nfs/dbraw/zinc/39/33/37/1066393337.db2.gz AFINHVYKHVXIDN-IBGZPJMESA-N 1 0 505.537 4.530 50 0 KJAARO COc1cc2nc(N3CCC[C@@H](O)C3)c(C[NH2+]Cc3ccc(C(F)(F)F)cc3)cc2c(OC)c1OC ZINC000299776334 1066393588 /nfs/dbraw/zinc/39/35/88/1066393588.db2.gz AFINHVYKHVXIDN-LJQANCHMSA-N 1 0 505.537 4.530 50 0 KJAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CN1Cc1ccccc1Cl ZINC000299778744 1066393407 /nfs/dbraw/zinc/39/34/07/1066393407.db2.gz QPITVLNGBXBBQX-UPVQGACJSA-N 1 0 502.968 4.803 50 0 KJAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccnc3)C[C@@H]2CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000299780060 572136446 /nfs/dbraw/zinc/13/64/46/572136446.db2.gz OWJBDIBQBCUQOD-LBNVMWSVSA-N 1 0 531.676 4.661 50 0 KJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CN1Cc1ccccc1 ZINC000299780609 1066393532 /nfs/dbraw/zinc/39/35/32/1066393532.db2.gz ANTDUVPWAVMJDT-PXJZQJOASA-N 1 0 507.634 4.660 50 0 KJAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H]([NH2+]Cc3ccc(F)c(F)c3)CN1C/C=C/c1ccccc1)CC2 ZINC000299781608 1066394082 /nfs/dbraw/zinc/39/40/82/1066394082.db2.gz DUEWSZPOZLWAAJ-IDZPSOTCSA-N 1 0 547.646 4.813 50 0 KJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2)CN1Cc1ccccc1 ZINC000299783002 1066393889 /nfs/dbraw/zinc/39/38/89/1066393889.db2.gz YQBQBFZZNMECHS-WDYNHAJCSA-N 1 0 507.634 4.660 50 0 KJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CN1Cc1ccccc1 ZINC000299783399 1066394102 /nfs/dbraw/zinc/39/41/02/1066394102.db2.gz UHTFBAKHIHZJDD-RPBOFIJWSA-N 1 0 525.571 4.526 50 0 KJAARO CCn1c2ccccc2c2cc(C[NH2+][C@@H]3C[C@@H](C(=O)NCCOC)N(Cc4ccc(Cl)cc4)C3)ccc21 ZINC000299783821 1066394015 /nfs/dbraw/zinc/39/40/15/1066394015.db2.gz YNOJYSDCEWNUBM-GIGWZHCTSA-N 1 0 519.089 4.963 50 0 KJAARO COCc1ccc(C(=O)N2CCN(CCOc3cccc(C[NH+]4CCC5(C=Cc6ccccc65)CC4)c3)CC2)o1 ZINC000299786038 1066394043 /nfs/dbraw/zinc/39/40/43/1066394043.db2.gz PALGANDVYSHWFB-UHFFFAOYSA-N 1 0 541.692 4.823 50 0 KJAARO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3)C2)cc1 ZINC000299786494 1066393789 /nfs/dbraw/zinc/39/37/89/1066393789.db2.gz KYFVLAOQQMHRJC-PXJZQJOASA-N 1 0 580.651 4.574 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2cc(OC)cc(OC)c2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299788880 572136970 /nfs/dbraw/zinc/13/69/70/572136970.db2.gz YOHCGILQPOQXOP-WXVAWEFUSA-N 1 0 549.634 4.689 50 0 KJAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000299790579 572137159 /nfs/dbraw/zinc/13/71/59/572137159.db2.gz BQYUYRIXIXQNPI-UHFFFAOYSA-N 1 0 529.710 4.582 50 0 KJAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H]([NH2+]Cc3cccc(C)c3)CN1C/C=C/c1ccccc1)CC2 ZINC000299795475 1066394569 /nfs/dbraw/zinc/39/45/69/1066394569.db2.gz KLUCMDIZJQNLPJ-PTBCMYPESA-N 1 0 525.693 4.843 50 0 KJAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3)C2)c(OC)c1 ZINC000299795911 1066394369 /nfs/dbraw/zinc/39/43/69/1066394369.db2.gz MZQIAWCBWVOUNO-UHSQPCAPSA-N 1 0 582.667 4.804 50 0 KJAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H]([NH2+]Cc3ccc(F)cc3F)CN1C/C=C/c1ccccc1)CC2 ZINC000299797131 1066394470 /nfs/dbraw/zinc/39/44/70/1066394470.db2.gz MMDPCBLFLCCYPY-SIEDVDIUSA-N 1 0 547.646 4.813 50 0 KJAARO COC(=O)CC[C@H]1CN(Cc2cccc(F)c2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299797272 572137032 /nfs/dbraw/zinc/13/70/32/572137032.db2.gz NFPGUNSXNYJIGB-SQJMNOBHSA-N 1 0 507.572 4.810 50 0 KJAARO COC(=O)CC[C@H]1C[N@H+](Cc2cccc(C)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299797576 572137074 /nfs/dbraw/zinc/13/70/74/572137074.db2.gz BLFRKYIFBQGUES-JYFHCDHNSA-N 1 0 503.609 4.980 50 0 KJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1Cc1ccccc1 ZINC000299797778 1066394454 /nfs/dbraw/zinc/39/44/54/1066394454.db2.gz OTHYUPFCRJPMFG-RPBOFIJWSA-N 1 0 525.571 4.526 50 0 KJAARO O=C(CC[C@H]1C[N@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCCCC1 ZINC000299797784 572138202 /nfs/dbraw/zinc/13/82/02/572138202.db2.gz PGXBJGYSFHFVAG-BHBYDHKZSA-N 1 0 518.721 4.598 50 0 KJAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(Cc2cccc(Cl)c2)C1 ZINC000299800603 1066394543 /nfs/dbraw/zinc/39/45/43/1066394543.db2.gz XACRSGLDCWBUBY-AHWVRZQESA-N 1 0 556.078 4.597 50 0 KJAARO CC(C)C[N@@H+]1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@@H](CCC(=O)NCCc2cccc(F)c2)C1 ZINC000299801327 572137896 /nfs/dbraw/zinc/13/78/96/572137896.db2.gz ZQDVGBLZUVCSGY-LBNVMWSVSA-N 1 0 512.689 4.572 50 0 KJAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 ZINC000409413206 1066219184 /nfs/dbraw/zinc/21/91/84/1066219184.db2.gz FSYIQMSCWZWWIG-SQJMNOBHSA-N 1 0 552.712 4.504 50 0 KJAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000409413329 1066208056 /nfs/dbraw/zinc/20/80/56/1066208056.db2.gz HZLXZYHYTUDHHU-WNCULLNHSA-N 1 0 504.627 4.578 50 0 KJAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000409413696 1066208638 /nfs/dbraw/zinc/20/86/38/1066208638.db2.gz KGXPRMJLZBXSNL-ABYGYWHVSA-N 1 0 532.681 4.811 50 0 KJAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000409414253 1067168418 /nfs/dbraw/zinc/16/84/18/1067168418.db2.gz JOLWXMTTWQXHCN-NDMKBUGQSA-N 1 0 533.713 4.735 50 0 KJAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000409414254 1067168444 /nfs/dbraw/zinc/16/84/44/1067168444.db2.gz JOLWXMTTWQXHCN-PBNZBDRISA-N 1 0 533.713 4.735 50 0 KJAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000409414255 1067168331 /nfs/dbraw/zinc/16/83/31/1067168331.db2.gz JOLWXMTTWQXHCN-QFUVHFAKSA-N 1 0 533.713 4.735 50 0 KJAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000409414256 1067168394 /nfs/dbraw/zinc/16/83/94/1067168394.db2.gz JOLWXMTTWQXHCN-XPSCAIQQSA-N 1 0 533.713 4.735 50 0 KJAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000524729428 1066212370 /nfs/dbraw/zinc/21/23/70/1066212370.db2.gz TUWZTLQRXQEKFV-RPLLCQBOSA-N 1 0 564.679 4.596 50 0 KJAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 ZINC000524731272 1066215883 /nfs/dbraw/zinc/21/58/83/1066215883.db2.gz QYJNWDQLTVVBPW-LADGPHEKSA-N 1 0 540.701 4.713 50 0 KJAARO Cc1c(Cc2ccccc2)c(=O)oc2c3c(cc(OCC(=O)NCC[N@@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c12)OC(C)(C)CC3 ZINC000524731621 1066216625 /nfs/dbraw/zinc/21/66/25/1066216625.db2.gz FAVIJYQESRUIGX-FTJBHMTQSA-N 1 0 623.750 4.572 50 0 KJAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1 ZINC000524731658 1066216493 /nfs/dbraw/zinc/21/64/93/1066216493.db2.gz GGUPPBKPMBBPFH-RPLLCQBOSA-N 1 0 534.653 4.587 50 0 KJAARO Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccc(OCCC[NH+](C)C)cc1)n2CCN1CCOCC1 ZINC000526061586 1066218385 /nfs/dbraw/zinc/21/83/85/1066218385.db2.gz HCDQWCDANVEBQR-UHFFFAOYSA-N 1 0 531.701 4.756 50 0 KJAARO COc1ccc(NC(=O)C2(N(CCc3c[nH]c4ccccc34)C(=O)c3ccccc3)CC[NH+](C)CC2)c(OC)c1 ZINC000575443845 1066468574 /nfs/dbraw/zinc/46/85/74/1066468574.db2.gz MRSGESGZVVFCKC-UHFFFAOYSA-N 1 0 540.664 4.973 50 0 KJAARO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)C1 ZINC000581778189 1066505258 /nfs/dbraw/zinc/50/52/58/1066505258.db2.gz CTNBDTDCSAJCKP-RUZDIDTESA-N 1 0 545.684 4.801 50 0 KJAARO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H](C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)C1 ZINC000581778190 1066505299 /nfs/dbraw/zinc/50/52/99/1066505299.db2.gz CTNBDTDCSAJCKP-VWLOTQADSA-N 1 0 545.684 4.801 50 0 KJAARO CC1=CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(=O)[nH]c(N5CC[NH+](Cc6ccccc6)CC5)n4)cc3cc21 ZINC000584906173 1066469224 /nfs/dbraw/zinc/46/92/24/1066469224.db2.gz DLURLCLWUCXKHY-UHFFFAOYSA-N 1 0 523.637 4.910 50 0 KJAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cccc(OCC[NH+](C)C)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604403931 1066498198 /nfs/dbraw/zinc/49/81/98/1066498198.db2.gz FBVWCKLRMMTDNI-NDEPHWFRSA-N 1 0 632.758 4.634 50 0 KJAARO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](C)CC1)n2C ZINC000604404511 1066498852 /nfs/dbraw/zinc/49/88/52/1066498852.db2.gz IBNHXRKBRQRAPN-BUQILHSASA-N 1 0 739.918 4.962 50 0 KJAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604404966 1066499972 /nfs/dbraw/zinc/49/99/72/1066499972.db2.gz MVUCWLRXTGTLLA-QPLJZLFBSA-N 1 0 634.818 4.778 50 0 KJAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000604405816 1066500610 /nfs/dbraw/zinc/50/06/10/1066500610.db2.gz VZPMBHFTZDVWMR-OCUZPWFOSA-N 1 0 678.871 4.795 50 0 KJAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH+]3CCC(Oc4ncc(C(F)(F)F)cc4Cl)CC3)CC2)c(C)c1 ZINC000618255905 1066501043 /nfs/dbraw/zinc/50/10/43/1066501043.db2.gz BSOACXIJOAVJQH-UHFFFAOYSA-N 1 0 575.053 4.717 50 0 KJAARO Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC([NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000618256182 1066501636 /nfs/dbraw/zinc/50/16/36/1066501636.db2.gz FQDDMCHBVRYFEW-UHFFFAOYSA-N 1 0 577.673 4.659 50 0 KJAARO COCC(=O)Oc1cccc2ccc(C[NH+]3CCC(N4CCN(c5ncc(C(F)(F)F)cc5Cl)CC4)CC3)nc21 ZINC000618256186 1066501789 /nfs/dbraw/zinc/50/17/89/1066501789.db2.gz FQHFYSHMNHKRQA-UHFFFAOYSA-N 1 0 578.035 4.640 50 0 KJAARO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC([NH+]2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618256357 1066501609 /nfs/dbraw/zinc/50/16/09/1066501609.db2.gz IAFSDFSVRKFCMM-UHFFFAOYSA-N 1 0 564.074 4.845 50 0 KJAARO Cc1cc(C)c(S(=O)(=O)N2CCC([NH+]3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)CC2)c(C)c1 ZINC000618256391 1066501768 /nfs/dbraw/zinc/50/17/68/1066501768.db2.gz IMGXZFIBPIOXKW-UHFFFAOYSA-N 1 0 511.610 4.722 50 0 KJAARO Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000618256647 1066501851 /nfs/dbraw/zinc/50/18/51/1066501851.db2.gz KWGMVYYGTMHCBR-UHFFFAOYSA-N 1 0 561.674 4.542 50 0 KJAARO CC(C)C(=O)Oc1cccc2ccc(CN3CCC([NH+]4CCN(c5ccc(C(F)(F)F)cn5)CC4)CC3)nc21 ZINC000618256678 1066501943 /nfs/dbraw/zinc/50/19/43/1066501943.db2.gz LPFHUYMMCCRFGP-UHFFFAOYSA-N 1 0 541.618 4.997 50 0 KJAARO O=S(=O)(c1cccc2cccnc21)N1CCC([NH+]2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618257044 1066501805 /nfs/dbraw/zinc/50/18/05/1066501805.db2.gz PXDZFGKTXZTLGQ-UHFFFAOYSA-N 1 0 555.022 4.999 50 0 KJAARO O=S(=O)(c1ccc2ccccc2c1)N1CCC([NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000618257292 1066501665 /nfs/dbraw/zinc/50/16/65/1066501665.db2.gz UFZIUPRHWFGPEL-UHFFFAOYSA-N 1 0 519.589 4.950 50 0 KJAARO COc1ccc(C[NH+]2CCC(NC(=O)CCCNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1 ZINC000888088670 1066395839 /nfs/dbraw/zinc/39/58/39/1066395839.db2.gz LADOEIMBNWYZLC-HKBQPEDESA-N 1 0 672.823 4.845 50 0 KJAARO COc1ccc(C[NH+]2CCC(NC(=O)CCCNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1OC ZINC000888088838 1066396540 /nfs/dbraw/zinc/39/65/40/1066396540.db2.gz UBPURTCNQVSIRN-PMERELPUSA-N 1 0 702.849 4.853 50 0 KJAARO COc1cccc(C[N@@H+]2CC[C@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)c1 ZINC000952856327 1066507786 /nfs/dbraw/zinc/50/77/86/1066507786.db2.gz YOWVZJKXTSAEGD-SMCANUKXSA-N 1 0 521.621 4.501 50 0 KJAARO CC(C)Oc1cccc(C[N@@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c1 ZINC000952856430 1066507709 /nfs/dbraw/zinc/50/77/09/1066507709.db2.gz FKJHQSSCJXTBAQ-XDFJSJKPSA-N 1 0 525.649 4.604 50 0 KJAARO CCc1oc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)cc1C[NH+]1CCCC1 ZINC000952856989 1066508360 /nfs/dbraw/zinc/50/83/60/1066508360.db2.gz VAWQXNXICITYEG-MFMCTBQISA-N 1 0 614.743 4.540 50 0 KJAARO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857008 1066508271 /nfs/dbraw/zinc/50/82/71/1066508271.db2.gz PZSUJXCZBDZUJH-KYJUHHDHSA-N 1 0 642.675 4.725 50 0 KJAARO [NH3+]Cc1cccc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)c1 ZINC000952857311 1066508233 /nfs/dbraw/zinc/50/82/33/1066508233.db2.gz RFVDONUFOLGLES-WJOKGBTCSA-N 1 0 549.627 4.943 50 0 KJAARO [NH3+]Cc1ccc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)cc1 ZINC000952857775 1066508409 /nfs/dbraw/zinc/50/84/09/1066508409.db2.gz ULOAEBCVCBMUCA-WJOKGBTCSA-N 1 0 549.627 4.943 50 0 KJAARO COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)C[C@@H]1NC(=O)CC2 ZINC000952857777 1066508216 /nfs/dbraw/zinc/50/82/16/1066508216.db2.gz XQWBYRMYHMODGB-RRPNLBNLSA-N 1 0 559.663 4.539 50 0 KJAARO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3ccc(C)c4ncccc34)C[C@@H]1OCc1cccc(c1)O2 ZINC000952861900 1066508754 /nfs/dbraw/zinc/50/87/54/1066508754.db2.gz DAJNTOIDUJLKTJ-LQJZCPKCSA-N 1 0 639.753 4.563 50 0 KJAARO COc1ccccc1C[N@@H+]1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952862677 1066509289 /nfs/dbraw/zinc/50/92/89/1066509289.db2.gz CWIXWULKDRJAAH-SMCANUKXSA-N 1 0 521.621 4.501 50 0 KJAARO COc1ccc(C[N@@H+]2CC[C@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)cc1 ZINC000952865232 1066509811 /nfs/dbraw/zinc/50/98/11/1066509811.db2.gz VPSHFAOCGFYANV-SMCANUKXSA-N 1 0 521.621 4.501 50 0 KJAARO O=C1N2Cc3cn(nn3)CCCOc3cccc(c3)[C@@H]3[N@H+](Cc4ccc(F)cc4)CC[C@@]13c1ccccc12 ZINC000952972490 1066509896 /nfs/dbraw/zinc/50/98/96/1066509896.db2.gz OZQJMHOGHWRQDJ-JDXGNMNLSA-N 1 0 509.585 4.632 50 0 KJAARO COc1cccc(C[N@@H+]2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)c1 ZINC000952979494 1066510539 /nfs/dbraw/zinc/51/05/39/1066510539.db2.gz YOWVZJKXTSAEGD-IGYGKHONSA-N 1 0 521.621 4.501 50 0 KJAARO